1-(cyclohexylmethyl)-N-[1-[2-(4-methoxyphenyl)ethylamino]-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide

C32H45N3O4 — CID 91371103

IUPAC1-(cyclohexylmethyl)-N-[1-[2-(4-methoxyphenyl)ethylamino]-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)C(C)(C)NC(=O)c2cc3c(n(CC4CCCCC4)c2=O)CCCCCC3)cc1
InChIInChI=1S/C32H45N3O4/c1-32(2,31(38)33-20-19-23-15-17-26(39-3)18-16-23)34-29(36)27-21-25-13-9-4-5-10-14-28(25)35(30(27)37)22-24-11-7-6-8-12-24/h15-18,21,24H,4-14,19-20,22H2,1-3H3,(H,33,38)(H,34,36)
InChIKeyGLLHBRXDLGBGMG-UHFFFAOYSA-N
MW535.73 g/mol
LogP4.96
Rot. Bonds9

About 1-(cyclohexylmethyl)-N-[1-[2-(4-methoxyphenyl)ethylamino]-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide

1-(cyclohexylmethyl)-N-[1-[2-(4-methoxyphenyl)ethylamino]-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (PubChem CID 91371103) has the molecular formula C32H45N3O4 and a molecular weight of 535.73 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-N-[1-[2-(4-methoxyphenyl)ethylamino]-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-N-[1-[2-(4-methoxyphenyl)ethylamino]-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
PubChem CID91371103
Molecular FormulaC32H45N3O4
Molecular Weight535.73 g/mol
Exact Mass535.34
IUPAC Name1-(cyclohexylmethyl)-N-[1-[2-(4-methoxyphenyl)ethylamino]-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)C(C)(C)NC(=O)c2cc3c(n(CC4CCCCC4)c2=O)CCCCCC3)cc1
InChIInChI=1S/C32H45N3O4/c1-32(2,31(38)33-20-19-23-15-17-26(39-3)18-16-23)34-29(36)27-21-25-13-9-4-5-10-14-28(25)35(30(27)37)22-24-11-7-6-8-12-24/h15-18,21,24H,4-14,19-20,22H2,1-3H3,(H,33,38)(H,34,36)
InChIKeyGLLHBRXDLGBGMG-UHFFFAOYSA-N
XLogP4.96
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.73
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(cyclohexylmethyl)-N-[1-[2-(4-methoxyphenyl)ethylamino]-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide with MolForge

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Related Compounds

methyl 2-[[1-(cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]-2-methylpropanoate
CID 11697361
N-(1-acetamido-2-methyl-1-oxopropan-2-yl)-1-(cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 90823052
2-[[2-[[1-(cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]-2-methylpropanoyl]-methylamino]acetic acid
CID 67519761
butyl-[2-[2-[[1-(cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]-2-methylpropanoyl]oxyethyl]-dimethylazanium
CID 67520262
1-butyl-N-[(4-methoxyphenyl)methyl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 23587757
1-[[1-(cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 67520058
[2-[[1-(cyclohexylmethyl)-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl]amino]phenyl] acetate
CID 67519902
N-cycloheptyl-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964428
4-(cyclohexylmethyl)-N-[2-(4-methoxyphenyl)ethyl]-1,4-diazepane-1-carboxamide
CID 55913020
1-butyl-2-oxo-N-(2-phenylethyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 23587792
1-butyl-2-oxo-N-(2-pyridin-4-ylethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 23587711
1-(cyclohexylmethyl)-3-[(2S)-2-(3-methoxyoxiran-2-yl)pyrrolidine-1-carbonyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-one
CID 163808988

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-N-[1-[2-(4-methoxyphenyl)ethylamino]-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-N-[1-[2-(4-methoxyphenyl)ethylamino]-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (CID 91371103) is 1-(cyclohexylmethyl)-N-[1-[2-(4-methoxyphenyl)ethylamino]-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-N-[1-[2-(4-methoxyphenyl)ethylamino]-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-N-[1-[2-(4-methoxyphenyl)ethylamino]-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is COc1ccc(CCNC(=O)C(C)(C)NC(=O)c2cc3c(n(CC4CCCCC4)c2=O)CCCCCC3)cc1.
What is the InChIKey of 1-(cyclohexylmethyl)-N-[1-[2-(4-methoxyphenyl)ethylamino]-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The InChIKey is GLLHBRXDLGBGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H45N3O4/c1-32(2,31(38)33-20-19-23-15-17-26(39-3)18-16-23)34-29(36)27-21-25-13-9-4-5-10-14-28(25)35(30(27)37)22-24-11-7-6-8-12-24/h15-18,21,24H,4-14,19-20,22H2,1-3H3,(H,33,38)(H,34,36).
What are the key properties of 1-(cyclohexylmethyl)-N-[1-[2-(4-methoxyphenyl)ethylamino]-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
1-(cyclohexylmethyl)-N-[1-[2-(4-methoxyphenyl)ethylamino]-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide has a molecular weight of 535.73 g/mol, XLogP of 4.96, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-N-[1-[2-(4-methoxyphenyl)ethylamino]-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is sourced from PubChem (CID 91371103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).