butan-2-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;1-butan-2-yl-3-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]urea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)cyclohexa-1,3-dien-1-yl]-3-cyclobutylurea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]-3-cyclopropylurea;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(dimethylamino)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate

C162H186N24O15 — CID 160842404

IUPACbutan-2-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;1-butan-2-yl-3-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]urea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)cyclohexa-1,3-dien-1-yl]-3-cyclobutylurea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]-3-cyclopropylurea;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(dimethylamino)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate
SMILESCC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCN(C)C)cc3n2C2CCC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4ccnc4)cc3n2C2CCC2)cc1)C1CC1.CCCOc1ccc2c(C#N)c(-c3ccc(NC(=O)NC(C)CC)cc3)n(C(C)C)c2c1.CCCOc1ccc2c(C#N)c(-c3ccc(NC(=O)NC4CC4)cc3)n(C(C)C)c2c1.CCCOc1ccc2c(C#N)c(C3=CC=C(NC(=O)NC4CCC4)CC3)n(C(C)C)c2c1.CCOc1ccc2c(c1)c(C#N)c(-c1ccc(NC(=O)OC(C)CC)cc1)n2C1CCC1
InChIInChI=1S/C30H31N5O3.C29H34N4O3.2C26H32N4O2.C26H29N3O3.C25H28N4O2/c1-20(21-5-6-21)38-30(36)33-23-9-7-22(8-10-23)29-27(18-31)26-12-11-25(37-16-15-34-14-13-32-19-34)17-28(26)35(29)24-3-2-4-24;1-19(20-7-8-20)36-29(34)31-22-11-9-21(10-12-22)28-26(18-30)25-14-13-24(35-16-15-32(2)3)17-27(25)33(28)23-5-4-6-23;1-4-14-32-21-12-13-22-23(16-27)25(30(17(2)3)24(22)15-21)18-8-10-20(11-9-18)29-26(31)28-19-6-5-7-19;1-6-14-32-21-12-13-22-23(16-27)25(30(17(3)4)24(22)15-21)19-8-10-20(11-9-19)29-26(31)28-18(5)7-2;1-4-17(3)32-26(30)28-19-11-9-18(10-12-19)25-23(16-27)22-15-21(31-5-2)13-14-24(22)29(25)20-7-6-8-20;1-4-13-31-20-11-12-21-22(15-26)24(29(16(2)3)23(21)14-20)17-5-7-18(8-6-17)27-25(30)28-19-9-10-19/h7-14,17,19-21,24H,2-6,15-16H2,1H3,(H,33,36);9-14,17,19-20,23H,4-8,15-16H2,1-3H3,(H,31,34);8,10,12-13,15,17,19H,4-7,9,11,14H2,1-3H3,(H2,28,29,31);8-13,15,17-18H,6-7,14H2,1-5H3,(H2,28,29,31);9-15,17,20H,4-8H2,1-3H3,(H,28,30);5-8,11-12,14,16,19H,4,9-10,13H2,1-3H3,(H2,27,28,30)
InChIKeySIEVLNWPAQJZQV-UHFFFAOYSA-N
MW2709.42 g/mol
LogP37.47
Rot. Bonds47

About butan-2-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;1-butan-2-yl-3-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]urea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)cyclohexa-1,3-dien-1-yl]-3-cyclobutylurea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]-3-cyclopropylurea;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(dimethylamino)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate

butan-2-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;1-butan-2-yl-3-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]urea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)cyclohexa-1,3-dien-1-yl]-3-cyclobutylurea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]-3-cyclopropylurea;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(dimethylamino)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate (PubChem CID 160842404) has the molecular formula C162H186N24O15 and a molecular weight of 2709.42 g/mol. Its IUPAC name is butan-2-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;1-butan-2-yl-3-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]urea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)cyclohexa-1,3-dien-1-yl]-3-cyclobutylurea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]-3-cyclopropylurea;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(dimethylamino)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Namebutan-2-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;1-butan-2-yl-3-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]urea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)cyclohexa-1,3-dien-1-yl]-3-cyclobutylurea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]-3-cyclopropylurea;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(dimethylamino)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate
PubChem CID160842404
Molecular FormulaC162H186N24O15
Molecular Weight2709.42 g/mol
Exact Mass2707.45
IUPAC Namebutan-2-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;1-butan-2-yl-3-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]urea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)cyclohexa-1,3-dien-1-yl]-3-cyclobutylurea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]-3-cyclopropylurea;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(dimethylamino)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate
SMILESCC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCN(C)C)cc3n2C2CCC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4ccnc4)cc3n2C2CCC2)cc1)C1CC1.CCCOc1ccc2c(C#N)c(-c3ccc(NC(=O)NC(C)CC)cc3)n(C(C)C)c2c1.CCCOc1ccc2c(C#N)c(-c3ccc(NC(=O)NC4CC4)cc3)n(C(C)C)c2c1.CCCOc1ccc2c(C#N)c(C3=CC=C(NC(=O)NC4CCC4)CC3)n(C(C)C)c2c1.CCOc1ccc2c(c1)c(C#N)c(-c1ccc(NC(=O)OC(C)CC)cc1)n2C1CCC1
InChIInChI=1S/C30H31N5O3.C29H34N4O3.2C26H32N4O2.C26H29N3O3.C25H28N4O2/c1-20(21-5-6-21)38-30(36)33-23-9-7-22(8-10-23)29-27(18-31)26-12-11-25(37-16-15-34-14-13-32-19-34)17-28(26)35(29)24-3-2-4-24;1-19(20-7-8-20)36-29(34)31-22-11-9-21(10-12-22)28-26(18-30)25-14-13-24(35-16-15-32(2)3)17-27(25)33(28)23-5-4-6-23;1-4-14-32-21-12-13-22-23(16-27)25(30(17(2)3)24(22)15-21)18-8-10-20(11-9-18)29-26(31)28-19-6-5-7-19;1-6-14-32-21-12-13-22-23(16-27)25(30(17(3)4)24(22)15-21)19-8-10-20(11-9-19)29-26(31)28-18(5)7-2;1-4-17(3)32-26(30)28-19-11-9-18(10-12-19)25-23(16-27)22-15-21(31-5-2)13-14-24(22)29(25)20-7-6-8-20;1-4-13-31-20-11-12-21-22(15-26)24(29(16(2)3)23(21)14-20)17-5-7-18(8-6-17)27-25(30)28-19-9-10-19/h7-14,17,19-21,24H,2-6,15-16H2,1H3,(H,33,36);9-14,17,19-20,23H,4-8,15-16H2,1-3H3,(H,31,34);8,10,12-13,15,17,19H,4-7,9,11,14H2,1-3H3,(H2,28,29,31);8-13,15,17-18H,6-7,14H2,1-5H3,(H2,28,29,31);9-15,17,20H,4-8H2,1-3H3,(H,28,30);5-8,11-12,14,16,19H,4,9-10,13H2,1-3H3,(H2,27,28,30)
InChIKeySIEVLNWPAQJZQV-UHFFFAOYSA-N
XLogP37.47
TPSA487.14 Ų
H-Bond Donors9
H-Bond Acceptors30
Rotatable Bonds47
Heavy Atoms201
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002709.42
LogP ≤ 537.47
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze butan-2-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;1-butan-2-yl-3-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]urea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)cyclohexa-1,3-dien-1-yl]-3-cyclobutylurea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]-3-cyclopropylurea;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(dimethylamino)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of butan-2-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;1-butan-2-yl-3-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]urea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)cyclohexa-1,3-dien-1-yl]-3-cyclobutylurea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]-3-cyclopropylurea;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(dimethylamino)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate?
The IUPAC name of butan-2-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;1-butan-2-yl-3-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]urea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)cyclohexa-1,3-dien-1-yl]-3-cyclobutylurea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]-3-cyclopropylurea;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(dimethylamino)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate (CID 160842404) is butan-2-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;1-butan-2-yl-3-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]urea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)cyclohexa-1,3-dien-1-yl]-3-cyclobutylurea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]-3-cyclopropylurea;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(dimethylamino)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate.
What is the SMILES notation for butan-2-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;1-butan-2-yl-3-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]urea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)cyclohexa-1,3-dien-1-yl]-3-cyclobutylurea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]-3-cyclopropylurea;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(dimethylamino)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate?
The canonical SMILES for butan-2-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;1-butan-2-yl-3-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]urea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)cyclohexa-1,3-dien-1-yl]-3-cyclobutylurea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]-3-cyclopropylurea;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(dimethylamino)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate is CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCN(C)C)cc3n2C2CCC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4ccnc4)cc3n2C2CCC2)cc1)C1CC1.CCCOc1ccc2c(C#N)c(-c3ccc(NC(=O)NC(C)CC)cc3)n(C(C)C)c2c1.CCCOc1ccc2c(C#N)c(-c3ccc(NC(=O)NC4CC4)cc3)n(C(C)C)c2c1.CCCOc1ccc2c(C#N)c(C3=CC=C(NC(=O)NC4CCC4)CC3)n(C(C)C)c2c1.CCOc1ccc2c(c1)c(C#N)c(-c1ccc(NC(=O)OC(C)CC)cc1)n2C1CCC1.
What is the InChIKey of butan-2-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;1-butan-2-yl-3-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]urea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)cyclohexa-1,3-dien-1-yl]-3-cyclobutylurea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]-3-cyclopropylurea;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(dimethylamino)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate?
The InChIKey is SIEVLNWPAQJZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N5O3.C29H34N4O3.2C26H32N4O2.C26H29N3O3.C25H28N4O2/c1-20(21-5-6-21)38-30(36)33-23-9-7-22(8-10-23)29-27(18-31)26-12-11-25(37-16-15-34-14-13-32-19-34)17-28(26)35(29)24-3-2-4-24;1-19(20-7-8-20)36-29(34)31-22-11-9-21(10-12-22)28-26(18-30)25-14-13-24(35-16-15-32(2)3)17-27(25)33(28)23-5-4-6-23;1-4-14-32-21-12-13-22-23(16-27)25(30(17(2)3)24(22)15-21)18-8-10-20(11-9-18)29-26(31)28-19-6-5-7-19;1-6-14-32-21-12-13-22-23(16-27)25(30(17(3)4)24(22)15-21)19-8-10-20(11-9-19)29-26(31)28-18(5)7-2;1-4-17(3)32-26(30)28-19-11-9-18(10-12-19)25-23(16-27)22-15-21(31-5-2)13-14-24(22)29(25)20-7-6-8-20;1-4-13-31-20-11-12-21-22(15-26)24(29(16(2)3)23(21)14-20)17-5-7-18(8-6-17)27-25(30)28-19-9-10-19/h7-14,17,19-21,24H,2-6,15-16H2,1H3,(H,33,36);9-14,17,19-20,23H,4-8,15-16H2,1-3H3,(H,31,34);8,10,12-13,15,17,19H,4-7,9,11,14H2,1-3H3,(H2,28,29,31);8-13,15,17-18H,6-7,14H2,1-5H3,(H2,28,29,31);9-15,17,20H,4-8H2,1-3H3,(H,28,30);5-8,11-12,14,16,19H,4,9-10,13H2,1-3H3,(H2,27,28,30).
What are the key properties of butan-2-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;1-butan-2-yl-3-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]urea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)cyclohexa-1,3-dien-1-yl]-3-cyclobutylurea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]-3-cyclopropylurea;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(dimethylamino)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate?
butan-2-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;1-butan-2-yl-3-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]urea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)cyclohexa-1,3-dien-1-yl]-3-cyclobutylurea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]-3-cyclopropylurea;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(dimethylamino)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate has a molecular weight of 2709.42 g/mol, XLogP of 37.47, 47 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;1-butan-2-yl-3-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]urea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)cyclohexa-1,3-dien-1-yl]-3-cyclobutylurea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]-3-cyclopropylurea;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(dimethylamino)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 160842404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).