N-cyclohexyl-N-[3-cyclohexyl-1-(4-methoxy-3-methylphenyl)-2-oxopropyl]-2-(1H-indol-3-yl)acetamide

C33H42N2O3 — CID 159216405

IUPACN-cyclohexyl-N-[3-cyclohexyl-1-(4-methoxy-3-methylphenyl)-2-oxopropyl]-2-(1H-indol-3-yl)acetamide
SMILESCOc1ccc(C(C(=O)CC2CCCCC2)N(C(=O)Cc2c[nH]c3ccccc23)C2CCCCC2)cc1C
InChIInChI=1S/C33H42N2O3/c1-23-19-25(17-18-31(23)38-2)33(30(36)20-24-11-5-3-6-12-24)35(27-13-7-4-8-14-27)32(37)21-26-22-34-29-16-10-9-15-28(26)29/h9-10,15-19,22,24,27,33-34H,3-8,11-14,20-21H2,1-2H3
InChIKeyKRCYPXSKRUQWQP-UHFFFAOYSA-N
MW514.71 g/mol
LogP7.47
Rot. Bonds9

About N-cyclohexyl-N-[3-cyclohexyl-1-(4-methoxy-3-methylphenyl)-2-oxopropyl]-2-(1H-indol-3-yl)acetamide

N-cyclohexyl-N-[3-cyclohexyl-1-(4-methoxy-3-methylphenyl)-2-oxopropyl]-2-(1H-indol-3-yl)acetamide (PubChem CID 159216405) has the molecular formula C33H42N2O3 and a molecular weight of 514.71 g/mol. Its IUPAC name is N-cyclohexyl-N-[3-cyclohexyl-1-(4-methoxy-3-methylphenyl)-2-oxopropyl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[3-cyclohexyl-1-(4-methoxy-3-methylphenyl)-2-oxopropyl]-2-(1H-indol-3-yl)acetamide
PubChem CID159216405
Molecular FormulaC33H42N2O3
Molecular Weight514.71 g/mol
Exact Mass514.32
IUPAC NameN-cyclohexyl-N-[3-cyclohexyl-1-(4-methoxy-3-methylphenyl)-2-oxopropyl]-2-(1H-indol-3-yl)acetamide
SMILESCOc1ccc(C(C(=O)CC2CCCCC2)N(C(=O)Cc2c[nH]c3ccccc23)C2CCCCC2)cc1C
InChIInChI=1S/C33H42N2O3/c1-23-19-25(17-18-31(23)38-2)33(30(36)20-24-11-5-3-6-12-24)35(27-13-7-4-8-14-27)32(37)21-26-22-34-29-16-10-9-15-28(26)29/h9-10,15-19,22,24,27,33-34H,3-8,11-14,20-21H2,1-2H3
InChIKeyKRCYPXSKRUQWQP-UHFFFAOYSA-N
XLogP7.47
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.71
LogP ≤ 57.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-cyclohexyl-1-(4-hydroxyphenyl)-2-oxopropyl]-N-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)acetamide
CID 147279854
(2S)-N-cyclohexyl-2-(3,4-dimethoxyphenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]anilino)acetamide
CID 40785913
(2S)-2-[(2-chlorophenyl)methyl-[2-(1H-indol-3-yl)acetyl]amino]-N-cyclohexyl-2-(3,4-dimethoxyphenyl)acetamide
CID 98097598
ethyl 3-[[(1S)-2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-[2-(1H-indol-3-yl)acetyl]amino]benzoate
CID 98097578
N-cyclohexyl-2-[cyclopropyl-[2-(1H-indol-3-yl)acetyl]amino]-2-(4-hydroxyphenyl)acetamide
CID 43811744
(2R)-N-cyclohexyl-2-(4-fluorophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-[(2-methoxyphenyl)methyl]amino]acetamide
CID 25308956
N-cyclohexyl-2-(3,4-dimethoxyphenyl)-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]acetamide
CID 3190776
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-(1H-indol-3-yl)acetamide
CID 33078129
N-cyclohexyl-2-[4-(dimethylamino)phenyl]-2-[[2-(1H-indol-3-yl)acetyl]-[(2-methoxyphenyl)methyl]amino]acetamide
CID 3190827
(2R)-N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-3,4-dimethoxyanilino)-2-(3-methoxyphenyl)acetamide
CID 98097675
(2S)-N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-3,4-dimethoxyanilino)-2-(3-methoxyphenyl)acetamide
CID 98097673
(2R)-N-cyclohexyl-2-[[2-(1H-indol-3-yl)acetyl]-[2-(2-methylphenyl)ethyl]amino]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 98097670

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[3-cyclohexyl-1-(4-methoxy-3-methylphenyl)-2-oxopropyl]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-cyclohexyl-N-[3-cyclohexyl-1-(4-methoxy-3-methylphenyl)-2-oxopropyl]-2-(1H-indol-3-yl)acetamide (CID 159216405) is N-cyclohexyl-N-[3-cyclohexyl-1-(4-methoxy-3-methylphenyl)-2-oxopropyl]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-N-[3-cyclohexyl-1-(4-methoxy-3-methylphenyl)-2-oxopropyl]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-cyclohexyl-N-[3-cyclohexyl-1-(4-methoxy-3-methylphenyl)-2-oxopropyl]-2-(1H-indol-3-yl)acetamide is COc1ccc(C(C(=O)CC2CCCCC2)N(C(=O)Cc2c[nH]c3ccccc23)C2CCCCC2)cc1C.
What is the InChIKey of N-cyclohexyl-N-[3-cyclohexyl-1-(4-methoxy-3-methylphenyl)-2-oxopropyl]-2-(1H-indol-3-yl)acetamide?
The InChIKey is KRCYPXSKRUQWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42N2O3/c1-23-19-25(17-18-31(23)38-2)33(30(36)20-24-11-5-3-6-12-24)35(27-13-7-4-8-14-27)32(37)21-26-22-34-29-16-10-9-15-28(26)29/h9-10,15-19,22,24,27,33-34H,3-8,11-14,20-21H2,1-2H3.
What are the key properties of N-cyclohexyl-N-[3-cyclohexyl-1-(4-methoxy-3-methylphenyl)-2-oxopropyl]-2-(1H-indol-3-yl)acetamide?
N-cyclohexyl-N-[3-cyclohexyl-1-(4-methoxy-3-methylphenyl)-2-oxopropyl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 514.71 g/mol, XLogP of 7.47, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[3-cyclohexyl-1-(4-methoxy-3-methylphenyl)-2-oxopropyl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 159216405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).