N-[1-(cyclohexylmethylamino)-1-oxo-3-phenylpropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;N-[(2S)-1-(3,3-diphenylpropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;3-(8-hydroxyquinolin-6-yl)-N-[3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]benzamide

C109H97F3N8O8 — CID 167556757

IUPACN-[1-(cyclohexylmethylamino)-1-oxo-3-phenylpropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;N-[(2S)-1-(3,3-diphenylpropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;3-(8-hydroxyquinolin-6-yl)-N-[3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]benzamide
SMILESCc1ccc(C(CCNC(=O)c2cccc(-c3cc(O)c4ncccc4c3)c2)c2ccc(C(F)(F)F)cc2)cc1.O=C(NC(Cc1ccccc1)C(=O)NCC1CCCCC1)c1cccc(-c2cc(O)c3ncccc3c2)c1.O=C(N[C@@H](Cc1ccc2ccccc2c1)C(=O)NCCC(c1ccccc1)c1ccccc1)c1cccc(-c2cc(O)c3ncccc3c2)c1
InChIInChI=1S/C44H37N3O3.C33H27F3N2O2.C32H33N3O3/c48-41-29-38(28-36-19-10-23-45-42(36)41)35-17-9-18-37(27-35)43(49)47-40(26-30-20-21-31-11-7-8-16-34(31)25-30)44(50)46-24-22-39(32-12-3-1-4-13-32)33-14-5-2-6-15-33;1-21-7-9-22(10-8-21)29(23-11-13-28(14-12-23)33(34,35)36)15-17-38-32(40)26-5-2-4-24(18-26)27-19-25-6-3-16-37-31(25)30(39)20-27;36-29-20-27(19-25-15-8-16-33-30(25)29)24-13-7-14-26(18-24)31(37)35-28(17-22-9-3-1-4-10-22)32(38)34-21-23-11-5-2-6-12-23/h1-21,23,25,27-29,39-40,48H,22,24,26H2,(H,46,50)(H,47,49);2-14,16,18-20,29,39H,15,17H2,1H3,(H,38,40);1,3-4,7-10,13-16,18-20,23,28,36H,2,5-6,11-12,17,21H2,(H,34,38)(H,35,37)/t40-;;/m0../s1
InChIKeyDCNIYXVWRBKUFK-ZXYSCAFTSA-N
MW1704.02 g/mol
LogP21.97
Rot. Bonds26

About N-[1-(cyclohexylmethylamino)-1-oxo-3-phenylpropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;N-[(2S)-1-(3,3-diphenylpropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;3-(8-hydroxyquinolin-6-yl)-N-[3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]benzamide

N-[1-(cyclohexylmethylamino)-1-oxo-3-phenylpropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;N-[(2S)-1-(3,3-diphenylpropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;3-(8-hydroxyquinolin-6-yl)-N-[3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]benzamide (PubChem CID 167556757) has the molecular formula C109H97F3N8O8 and a molecular weight of 1704.02 g/mol. Its IUPAC name is N-[1-(cyclohexylmethylamino)-1-oxo-3-phenylpropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;N-[(2S)-1-(3,3-diphenylpropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;3-(8-hydroxyquinolin-6-yl)-N-[3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]benzamide.

Molecular Properties

Compound NameN-[1-(cyclohexylmethylamino)-1-oxo-3-phenylpropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;N-[(2S)-1-(3,3-diphenylpropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;3-(8-hydroxyquinolin-6-yl)-N-[3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]benzamide
PubChem CID167556757
Molecular FormulaC109H97F3N8O8
Molecular Weight1704.02 g/mol
Exact Mass1702.74
IUPAC NameN-[1-(cyclohexylmethylamino)-1-oxo-3-phenylpropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;N-[(2S)-1-(3,3-diphenylpropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;3-(8-hydroxyquinolin-6-yl)-N-[3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]benzamide
SMILESCc1ccc(C(CCNC(=O)c2cccc(-c3cc(O)c4ncccc4c3)c2)c2ccc(C(F)(F)F)cc2)cc1.O=C(NC(Cc1ccccc1)C(=O)NCC1CCCCC1)c1cccc(-c2cc(O)c3ncccc3c2)c1.O=C(N[C@@H](Cc1ccc2ccccc2c1)C(=O)NCCC(c1ccccc1)c1ccccc1)c1cccc(-c2cc(O)c3ncccc3c2)c1
InChIInChI=1S/C44H37N3O3.C33H27F3N2O2.C32H33N3O3/c48-41-29-38(28-36-19-10-23-45-42(36)41)35-17-9-18-37(27-35)43(49)47-40(26-30-20-21-31-11-7-8-16-34(31)25-30)44(50)46-24-22-39(32-12-3-1-4-13-32)33-14-5-2-6-15-33;1-21-7-9-22(10-8-21)29(23-11-13-28(14-12-23)33(34,35)36)15-17-38-32(40)26-5-2-4-24(18-26)27-19-25-6-3-16-37-31(25)30(39)20-27;36-29-20-27(19-25-15-8-16-33-30(25)29)24-13-7-14-26(18-24)31(37)35-28(17-22-9-3-1-4-10-22)32(38)34-21-23-11-5-2-6-12-23/h1-21,23,25,27-29,39-40,48H,22,24,26H2,(H,46,50)(H,47,49);2-14,16,18-20,29,39H,15,17H2,1H3,(H,38,40);1,3-4,7-10,13-16,18-20,23,28,36H,2,5-6,11-12,17,21H2,(H,34,38)(H,35,37)/t40-;;/m0../s1
InChIKeyDCNIYXVWRBKUFK-ZXYSCAFTSA-N
XLogP21.97
TPSA244.86 Ų
H-Bond Donors8
H-Bond Acceptors11
Rotatable Bonds26
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001704.02
LogP ≤ 521.97
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1011

Analyze N-[1-(cyclohexylmethylamino)-1-oxo-3-phenylpropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;N-[(2S)-1-(3,3-diphenylpropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;3-(8-hydroxyquinolin-6-yl)-N-[3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]benzamide with MolForge

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Related Compounds

ML324
CID 44143209
(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[(4R)-6-(quinolin-3-ylmethyl)-1,2,3,4-tetrahydroquinolin-4-yl]propanamide;2,2,2-trifluoroacetic acid
CID 155536454
(2S)-2-amino-N-[(4R)-1-(cyclopropanecarbonyl)-6-(quinolin-3-ylmethyl)-3,4-dihydro-2H-quinolin-4-yl]-3-(4-hydroxy-2,6-dimethylphenyl)propanamide;2,2,2-trifluoroacetic acid
CID 155538528
(2S)-2-amino-N-[(4R)-1-benzoyl-6-(quinolin-3-ylmethyl)-3,4-dihydro-2H-quinolin-4-yl]-3-(4-hydroxy-2,6-dimethylphenyl)propanamide;2,2,2-trifluoroacetic acid
CID 155551873
(2S)-N-[(4R)-1-acetyl-6-(quinolin-3-ylmethyl)-3,4-dihydro-2H-quinolin-4-yl]-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanamide;2,2,2-trifluoroacetic acid
CID 155555052
N-[6-(Dimethylamino)hexyl]-3-(8-hydroxyquinolin-6-yl)benzamide
CID 89564218
3-(8-Hydroxyquinolin-6-YL)-N-(3-phenylpropyl)benzamide
CID 127030711
CID 44143204
CID 44143204
CID 44143208
CID 44143208
N-[2-(dimethylamino)ethyl]-N-[[1-[(8-hydroxyquinolin-2-yl)methyl]piperidin-3-yl]methyl]naphthalene-2-carboxamide
CID 145991603
[3-(8-Hydroxyquinolin-6-yl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 44143207
P3-P3' Entry 5
CID 166611767

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexylmethylamino)-1-oxo-3-phenylpropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;N-[(2S)-1-(3,3-diphenylpropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;3-(8-hydroxyquinolin-6-yl)-N-[3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]benzamide?
The IUPAC name of N-[1-(cyclohexylmethylamino)-1-oxo-3-phenylpropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;N-[(2S)-1-(3,3-diphenylpropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;3-(8-hydroxyquinolin-6-yl)-N-[3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]benzamide (CID 167556757) is N-[1-(cyclohexylmethylamino)-1-oxo-3-phenylpropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;N-[(2S)-1-(3,3-diphenylpropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;3-(8-hydroxyquinolin-6-yl)-N-[3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]benzamide.
What is the SMILES notation for N-[1-(cyclohexylmethylamino)-1-oxo-3-phenylpropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;N-[(2S)-1-(3,3-diphenylpropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;3-(8-hydroxyquinolin-6-yl)-N-[3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]benzamide?
The canonical SMILES for N-[1-(cyclohexylmethylamino)-1-oxo-3-phenylpropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;N-[(2S)-1-(3,3-diphenylpropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;3-(8-hydroxyquinolin-6-yl)-N-[3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]benzamide is Cc1ccc(C(CCNC(=O)c2cccc(-c3cc(O)c4ncccc4c3)c2)c2ccc(C(F)(F)F)cc2)cc1.O=C(NC(Cc1ccccc1)C(=O)NCC1CCCCC1)c1cccc(-c2cc(O)c3ncccc3c2)c1.O=C(N[C@@H](Cc1ccc2ccccc2c1)C(=O)NCCC(c1ccccc1)c1ccccc1)c1cccc(-c2cc(O)c3ncccc3c2)c1.
What is the InChIKey of N-[1-(cyclohexylmethylamino)-1-oxo-3-phenylpropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;N-[(2S)-1-(3,3-diphenylpropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;3-(8-hydroxyquinolin-6-yl)-N-[3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]benzamide?
The InChIKey is DCNIYXVWRBKUFK-ZXYSCAFTSA-N. The full InChI is InChI=1S/C44H37N3O3.C33H27F3N2O2.C32H33N3O3/c48-41-29-38(28-36-19-10-23-45-42(36)41)35-17-9-18-37(27-35)43(49)47-40(26-30-20-21-31-11-7-8-16-34(31)25-30)44(50)46-24-22-39(32-12-3-1-4-13-32)33-14-5-2-6-15-33;1-21-7-9-22(10-8-21)29(23-11-13-28(14-12-23)33(34,35)36)15-17-38-32(40)26-5-2-4-24(18-26)27-19-25-6-3-16-37-31(25)30(39)20-27;36-29-20-27(19-25-15-8-16-33-30(25)29)24-13-7-14-26(18-24)31(37)35-28(17-22-9-3-1-4-10-22)32(38)34-21-23-11-5-2-6-12-23/h1-21,23,25,27-29,39-40,48H,22,24,26H2,(H,46,50)(H,47,49);2-14,16,18-20,29,39H,15,17H2,1H3,(H,38,40);1,3-4,7-10,13-16,18-20,23,28,36H,2,5-6,11-12,17,21H2,(H,34,38)(H,35,37)/t40-;;/m0../s1.
What are the key properties of N-[1-(cyclohexylmethylamino)-1-oxo-3-phenylpropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;N-[(2S)-1-(3,3-diphenylpropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;3-(8-hydroxyquinolin-6-yl)-N-[3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]benzamide?
N-[1-(cyclohexylmethylamino)-1-oxo-3-phenylpropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;N-[(2S)-1-(3,3-diphenylpropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;3-(8-hydroxyquinolin-6-yl)-N-[3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]benzamide has a molecular weight of 1704.02 g/mol, XLogP of 21.97, 26 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexylmethylamino)-1-oxo-3-phenylpropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;N-[(2S)-1-(3,3-diphenylpropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;3-(8-hydroxyquinolin-6-yl)-N-[3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]benzamide is sourced from PubChem (CID 167556757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).