2-amino-8-[4-(diethylcarbamoyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3S,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3R,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[3-(dimethylcarbamoyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-(dimethylcarbamoyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-(3-isocyanophenyl)-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-(4-isocyanophenyl)-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-(piperidine-1-carbonyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide

C269H324N40O24 — CID 161415051

IUPAC2-amino-8-[4-(diethylcarbamoyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3S,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3R,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[3-(dimethylcarbamoyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-(dimethylcarbamoyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-(3-isocyanophenyl)-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-(4-isocyanophenyl)-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-(piperidine-1-carbonyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide
SMILESCCCN(CCC)C(=O)C1=Cc2ccc(-c3ccc(C(=O)N(C)C)cc3)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(-c3ccc(C(=O)N(CC)CC)cc3)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(-c3ccc(C(=O)N4CCCCC4)cc3)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(-c3ccc(C(=O)N4CC[C@@H](O)C4)cc3)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(-c3ccc(C(=O)N4CC[C@H](O)C4)cc3)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(-c3ccc(C(=O)N4C[C@@H](O)[C@H](O)C4)cc3)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(-c3ccc(C(=O)N4C[C@H](O)[C@@H](O)C4)cc3)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(-c3cccc(C(=O)N(C)C)c3)cc2N=C(N)C1.[C-]#[N+]c1ccc(-c2ccc3c(c2)N=C(N)CC(C(=O)N(CCC)CCC)=C3)cc1.[C-]#[N+]c1cccc(-c2ccc3c(c2)N=C(N)CC(C(=O)N(CCC)CCC)=C3)c1
InChIInChI=1S/C29H36N4O2.2C28H34N4O4.2C28H34N4O3.C28H36N4O2.2C26H32N4O2.2C24H26N4O/c1-3-14-32(15-4-2)29(35)25-18-24-13-12-23(19-26(24)31-27(30)20-25)21-8-10-22(11-9-21)28(34)33-16-6-5-7-17-33;2*1-3-11-31(12-4-2)28(36)22-13-21-10-9-20(14-23(21)30-26(29)15-22)18-5-7-19(8-6-18)27(35)32-16-24(33)25(34)17-32;2*1-3-12-31(13-4-2)28(35)23-15-22-10-9-21(16-25(22)30-26(29)17-23)19-5-7-20(8-6-19)27(34)32-14-11-24(33)18-32;1-5-15-32(16-6-2)28(34)24-17-23-14-13-22(18-25(23)30-26(29)19-24)20-9-11-21(12-10-20)27(33)31(7-3)8-4;1-5-13-30(14-6-2)26(32)22-15-21-12-11-20(16-23(21)28-24(27)17-22)18-7-9-19(10-8-18)25(31)29(3)4;1-5-12-30(13-6-2)26(32)22-15-20-11-10-19(16-23(20)28-24(27)17-22)18-8-7-9-21(14-18)25(31)29(3)4;1-4-12-28(13-5-2)24(29)20-14-19-7-6-18(15-22(19)27-23(25)16-20)17-8-10-21(26-3)11-9-17;1-4-11-28(12-5-2)24(29)20-13-19-10-9-18(15-22(19)27-23(25)16-20)17-7-6-8-21(14-17)26-3/h8-13,18-19H,3-7,14-17,20H2,1-2H3,(H2,30,31);2*5-10,13-14,24-25,33-34H,3-4,11-12,15-17H2,1-2H3,(H2,29,30);2*5-10,15-16,24,33H,3-4,11-14,17-18H2,1-2H3,(H2,29,30);9-14,17-18H,5-8,15-16,19H2,1-4H3,(H2,29,30);7-12,15-16H,5-6,13-14,17H2,1-4H3,(H2,27,28);7-11,14-16H,5-6,12-13,17H2,1-4H3,(H2,27,28);6-11,14-15H,4-5,12-13,16H2,1-2H3,(H2,25,27);6-10,13-15H,4-5,11-12,16H2,1-2H3,(H2,25,27)/t;2*24-,25-;2*24-;;;;;/m.1010...../s1
InChIKeyVVYXLHTWVNAJBS-DDJWVOCJSA-N
MW4501.81 g/mol
LogP44.16
Rot. Bonds70

About 2-amino-8-[4-(diethylcarbamoyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3S,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3R,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[3-(dimethylcarbamoyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-(dimethylcarbamoyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-(3-isocyanophenyl)-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-(4-isocyanophenyl)-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-(piperidine-1-carbonyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide

2-amino-8-[4-(diethylcarbamoyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3S,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3R,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[3-(dimethylcarbamoyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-(dimethylcarbamoyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-(3-isocyanophenyl)-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-(4-isocyanophenyl)-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-(piperidine-1-carbonyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide (PubChem CID 161415051) has the molecular formula C269H324N40O24 and a molecular weight of 4501.81 g/mol. Its IUPAC name is 2-amino-8-[4-(diethylcarbamoyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3S,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3R,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[3-(dimethylcarbamoyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-(dimethylcarbamoyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-(3-isocyanophenyl)-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-(4-isocyanophenyl)-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-(piperidine-1-carbonyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide.

Molecular Properties

Compound Name2-amino-8-[4-(diethylcarbamoyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3S,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3R,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[3-(dimethylcarbamoyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-(dimethylcarbamoyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-(3-isocyanophenyl)-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-(4-isocyanophenyl)-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-(piperidine-1-carbonyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide
PubChem CID161415051
Molecular FormulaC269H324N40O24
Molecular Weight4501.81 g/mol
Exact Mass4498.54
IUPAC Name2-amino-8-[4-(diethylcarbamoyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3S,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3R,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[3-(dimethylcarbamoyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-(dimethylcarbamoyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-(3-isocyanophenyl)-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-(4-isocyanophenyl)-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-(piperidine-1-carbonyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide
SMILESCCCN(CCC)C(=O)C1=Cc2ccc(-c3ccc(C(=O)N(C)C)cc3)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(-c3ccc(C(=O)N(CC)CC)cc3)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(-c3ccc(C(=O)N4CCCCC4)cc3)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(-c3ccc(C(=O)N4CC[C@@H](O)C4)cc3)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(-c3ccc(C(=O)N4CC[C@H](O)C4)cc3)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(-c3ccc(C(=O)N4C[C@@H](O)[C@H](O)C4)cc3)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(-c3ccc(C(=O)N4C[C@H](O)[C@@H](O)C4)cc3)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(-c3cccc(C(=O)N(C)C)c3)cc2N=C(N)C1.[C-]#[N+]c1ccc(-c2ccc3c(c2)N=C(N)CC(C(=O)N(CCC)CCC)=C3)cc1.[C-]#[N+]c1cccc(-c2ccc3c(c2)N=C(N)CC(C(=O)N(CCC)CCC)=C3)c1
InChIInChI=1S/C29H36N4O2.2C28H34N4O4.2C28H34N4O3.C28H36N4O2.2C26H32N4O2.2C24H26N4O/c1-3-14-32(15-4-2)29(35)25-18-24-13-12-23(19-26(24)31-27(30)20-25)21-8-10-22(11-9-21)28(34)33-16-6-5-7-17-33;2*1-3-11-31(12-4-2)28(36)22-13-21-10-9-20(14-23(21)30-26(29)15-22)18-5-7-19(8-6-18)27(35)32-16-24(33)25(34)17-32;2*1-3-12-31(13-4-2)28(35)23-15-22-10-9-21(16-25(22)30-26(29)17-23)19-5-7-20(8-6-19)27(34)32-14-11-24(33)18-32;1-5-15-32(16-6-2)28(34)24-17-23-14-13-22(18-25(23)30-26(29)19-24)20-9-11-21(12-10-20)27(33)31(7-3)8-4;1-5-13-30(14-6-2)26(32)22-15-21-12-11-20(16-23(21)28-24(27)17-22)18-7-9-19(10-8-18)25(31)29(3)4;1-5-12-30(13-6-2)26(32)22-15-20-11-10-19(16-23(20)28-24(27)17-22)18-8-7-9-21(14-18)25(31)29(3)4;1-4-12-28(13-5-2)24(29)20-14-19-7-6-18(15-22(19)27-23(25)16-20)17-8-10-21(26-3)11-9-17;1-4-11-28(12-5-2)24(29)20-13-19-10-9-18(15-22(19)27-23(25)16-20)17-7-6-8-21(14-17)26-3/h8-13,18-19H,3-7,14-17,20H2,1-2H3,(H2,30,31);2*5-10,13-14,24-25,33-34H,3-4,11-12,15-17H2,1-2H3,(H2,29,30);2*5-10,15-16,24,33H,3-4,11-14,17-18H2,1-2H3,(H2,29,30);9-14,17-18H,5-8,15-16,19H2,1-4H3,(H2,29,30);7-12,15-16H,5-6,13-14,17H2,1-4H3,(H2,27,28);7-11,14-16H,5-6,12-13,17H2,1-4H3,(H2,27,28);6-11,14-15H,4-5,12-13,16H2,1-2H3,(H2,25,27);6-10,13-15H,4-5,11-12,16H2,1-2H3,(H2,25,27)/t;2*24-,25-;2*24-;;;;;/m.1010...../s1
InChIKeyVVYXLHTWVNAJBS-DDJWVOCJSA-N
XLogP44.16
TPSA879.48 Ų
H-Bond Donors16
H-Bond Acceptors44
Rotatable Bonds70
Heavy Atoms333
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004501.81
LogP ≤ 544.16
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1044

Analyze 2-amino-8-[4-(diethylcarbamoyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3S,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3R,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[3-(dimethylcarbamoyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-(dimethylcarbamoyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-(3-isocyanophenyl)-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-(4-isocyanophenyl)-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-(piperidine-1-carbonyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide with MolForge

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Related Compounds

2-amino-N-(3-hydroxypropyl)-N-propyl-8-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide
CID 161321208
2-amino-N-(3-hydroxypropyl)-8-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-N-propyl-3H-1-benzazepine-4-carboxamide
CID 51034409
2-amino-N-(3-hydroxypropyl)-N-propyl-8-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxamide
CID 51033411
2-amino-8-[4-(3-hydroxy-4-phenylpyrrolidine-1-carbonyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide
CID 146531171
2-amino-N-[(2-hydroxyphenyl)methyl]-N-propyl-8-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxamide
CID 51033965
2-amino-8-[4-[(3S)-3-phenylpiperazine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide
CID 146531120
2-amino-8-[3-(3-hydroxyazetidin-1-yl)sulfonylphenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide
CID 121429538
2-amino-N-ethoxy-8-[6-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-3-pyridinyl]-N-propyl-3H-1-benzazepine-4-carboxamide
CID 167106987
2-amino-N,N-dipropyl-8-(4-propylphenyl)-3H-1-benzazepine-4-carboxamide
CID 131968950
2-amino-8-(4-hydroxyphenyl)-N,N-dipropyl-3H-1-benzazepine-4-carboxamide
CID 51034180
2-(aminodiazenyl)-N-(3-nitrosopropyl)-N-propyl-8-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxamide
CID 129058540
[4-[(2-amino-2-oxoethyl)-propylcarbamoyl]-8-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepin-2-yl]-tert-butylcarbamic acid
CID 67087694

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-[4-(diethylcarbamoyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3S,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3R,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[3-(dimethylcarbamoyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-(dimethylcarbamoyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-(3-isocyanophenyl)-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-(4-isocyanophenyl)-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-(piperidine-1-carbonyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide?
The IUPAC name of 2-amino-8-[4-(diethylcarbamoyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3S,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3R,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[3-(dimethylcarbamoyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-(dimethylcarbamoyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-(3-isocyanophenyl)-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-(4-isocyanophenyl)-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-(piperidine-1-carbonyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide (CID 161415051) is 2-amino-8-[4-(diethylcarbamoyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3S,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3R,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[3-(dimethylcarbamoyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-(dimethylcarbamoyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-(3-isocyanophenyl)-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-(4-isocyanophenyl)-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-(piperidine-1-carbonyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide.
What is the SMILES notation for 2-amino-8-[4-(diethylcarbamoyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3S,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3R,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[3-(dimethylcarbamoyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-(dimethylcarbamoyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-(3-isocyanophenyl)-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-(4-isocyanophenyl)-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-(piperidine-1-carbonyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide?
The canonical SMILES for 2-amino-8-[4-(diethylcarbamoyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3S,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3R,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[3-(dimethylcarbamoyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-(dimethylcarbamoyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-(3-isocyanophenyl)-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-(4-isocyanophenyl)-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-(piperidine-1-carbonyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide is CCCN(CCC)C(=O)C1=Cc2ccc(-c3ccc(C(=O)N(C)C)cc3)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(-c3ccc(C(=O)N(CC)CC)cc3)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(-c3ccc(C(=O)N4CCCCC4)cc3)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(-c3ccc(C(=O)N4CC[C@@H](O)C4)cc3)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(-c3ccc(C(=O)N4CC[C@H](O)C4)cc3)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(-c3ccc(C(=O)N4C[C@@H](O)[C@H](O)C4)cc3)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(-c3ccc(C(=O)N4C[C@H](O)[C@@H](O)C4)cc3)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(-c3cccc(C(=O)N(C)C)c3)cc2N=C(N)C1.[C-]#[N+]c1ccc(-c2ccc3c(c2)N=C(N)CC(C(=O)N(CCC)CCC)=C3)cc1.[C-]#[N+]c1cccc(-c2ccc3c(c2)N=C(N)CC(C(=O)N(CCC)CCC)=C3)c1.
What is the InChIKey of 2-amino-8-[4-(diethylcarbamoyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3S,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3R,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[3-(dimethylcarbamoyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-(dimethylcarbamoyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-(3-isocyanophenyl)-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-(4-isocyanophenyl)-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-(piperidine-1-carbonyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide?
The InChIKey is VVYXLHTWVNAJBS-DDJWVOCJSA-N. The full InChI is InChI=1S/C29H36N4O2.2C28H34N4O4.2C28H34N4O3.C28H36N4O2.2C26H32N4O2.2C24H26N4O/c1-3-14-32(15-4-2)29(35)25-18-24-13-12-23(19-26(24)31-27(30)20-25)21-8-10-22(11-9-21)28(34)33-16-6-5-7-17-33;2*1-3-11-31(12-4-2)28(36)22-13-21-10-9-20(14-23(21)30-26(29)15-22)18-5-7-19(8-6-18)27(35)32-16-24(33)25(34)17-32;2*1-3-12-31(13-4-2)28(35)23-15-22-10-9-21(16-25(22)30-26(29)17-23)19-5-7-20(8-6-19)27(34)32-14-11-24(33)18-32;1-5-15-32(16-6-2)28(34)24-17-23-14-13-22(18-25(23)30-26(29)19-24)20-9-11-21(12-10-20)27(33)31(7-3)8-4;1-5-13-30(14-6-2)26(32)22-15-21-12-11-20(16-23(21)28-24(27)17-22)18-7-9-19(10-8-18)25(31)29(3)4;1-5-12-30(13-6-2)26(32)22-15-20-11-10-19(16-23(20)28-24(27)17-22)18-8-7-9-21(14-18)25(31)29(3)4;1-4-12-28(13-5-2)24(29)20-14-19-7-6-18(15-22(19)27-23(25)16-20)17-8-10-21(26-3)11-9-17;1-4-11-28(12-5-2)24(29)20-13-19-10-9-18(15-22(19)27-23(25)16-20)17-7-6-8-21(14-17)26-3/h8-13,18-19H,3-7,14-17,20H2,1-2H3,(H2,30,31);2*5-10,13-14,24-25,33-34H,3-4,11-12,15-17H2,1-2H3,(H2,29,30);2*5-10,15-16,24,33H,3-4,11-14,17-18H2,1-2H3,(H2,29,30);9-14,17-18H,5-8,15-16,19H2,1-4H3,(H2,29,30);7-12,15-16H,5-6,13-14,17H2,1-4H3,(H2,27,28);7-11,14-16H,5-6,12-13,17H2,1-4H3,(H2,27,28);6-11,14-15H,4-5,12-13,16H2,1-2H3,(H2,25,27);6-10,13-15H,4-5,11-12,16H2,1-2H3,(H2,25,27)/t;2*24-,25-;2*24-;;;;;/m.1010...../s1.
What are the key properties of 2-amino-8-[4-(diethylcarbamoyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3S,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3R,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[3-(dimethylcarbamoyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-(dimethylcarbamoyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-(3-isocyanophenyl)-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-(4-isocyanophenyl)-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-(piperidine-1-carbonyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide?
2-amino-8-[4-(diethylcarbamoyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3S,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3R,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[3-(dimethylcarbamoyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-(dimethylcarbamoyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-(3-isocyanophenyl)-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-(4-isocyanophenyl)-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-(piperidine-1-carbonyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide has a molecular weight of 4501.81 g/mol, XLogP of 44.16, 70 rotatable bonds, 16 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-[4-(diethylcarbamoyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3S,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3R,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[3-(dimethylcarbamoyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-(dimethylcarbamoyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-(3-isocyanophenyl)-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-(4-isocyanophenyl)-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;2-amino-8-[4-(piperidine-1-carbonyl)phenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide is sourced from PubChem (CID 161415051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).