N-[(2S)-1-[[(2R)-2-acetylcyclopentyl]amino]-1-oxohexan-2-yl]-1-methylindole-2-carboxamide

C23H31N3O3 — CID 59453796

IUPACN-[(2S)-1-[[(2R)-2-acetylcyclopentyl]amino]-1-oxohexan-2-yl]-1-methylindole-2-carboxamide
SMILESCCCC[C@H](NC(=O)c1cc2ccccc2n1C)C(=O)NC1CCC[C@H]1C(C)=O
InChIInChI=1S/C23H31N3O3/c1-4-5-11-19(22(28)24-18-12-8-10-17(18)15(2)27)25-23(29)21-14-16-9-6-7-13-20(16)26(21)3/h6-7,9,13-14,17-19H,4-5,8,10-12H2,1-3H3,(H,24,28)(H,25,29)/t17-,18?,19-/m0/s1
InChIKeyANSMYNWUYQVAHC-JVUMBYKBSA-N
MW397.52 g/mol
LogP3.34
Rot. Bonds8

About N-[(2S)-1-[[(2R)-2-acetylcyclopentyl]amino]-1-oxohexan-2-yl]-1-methylindole-2-carboxamide

N-[(2S)-1-[[(2R)-2-acetylcyclopentyl]amino]-1-oxohexan-2-yl]-1-methylindole-2-carboxamide (PubChem CID 59453796) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-[(2S)-1-[[(2R)-2-acetylcyclopentyl]amino]-1-oxohexan-2-yl]-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(2R)-2-acetylcyclopentyl]amino]-1-oxohexan-2-yl]-1-methylindole-2-carboxamide
PubChem CID59453796
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC NameN-[(2S)-1-[[(2R)-2-acetylcyclopentyl]amino]-1-oxohexan-2-yl]-1-methylindole-2-carboxamide
SMILESCCCC[C@H](NC(=O)c1cc2ccccc2n1C)C(=O)NC1CCC[C@H]1C(C)=O
InChIInChI=1S/C23H31N3O3/c1-4-5-11-19(22(28)24-18-12-8-10-17(18)15(2)27)25-23(29)21-14-16-9-6-7-13-20(16)26(21)3/h6-7,9,13-14,17-19H,4-5,8,10-12H2,1-3H3,(H,24,28)(H,25,29)/t17-,18?,19-/m0/s1
InChIKeyANSMYNWUYQVAHC-JVUMBYKBSA-N
XLogP3.34
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-[[(2R)-2-acetylcyclopentyl]amino]-1-oxohexan-2-yl]-1-methylindole-2-carboxamide with MolForge

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Related Compounds

N-[(2S)-1-[[(1S,2R)-2-acetylcyclopentyl]amino]-1-oxohexan-2-yl]-1-methylindole-2-carboxamide
CID 59453871
(2S)-2-[(1-methylindole-2-carbonyl)amino]hexanoic acid
CID 59453906
N-[(2S)-1-[[(1S,2R)-2-acetylcyclopentyl]amino]-1-oxohexan-2-yl]-3-methoxybenzamide
CID 59454084
cis-(1R,2S)-2-[[(2S)-2-[(1-methylindole-5-carbonyl)amino]hexanoyl]amino]cyclopentane-1-carboxylic acid
CID 59453855
cis-(1R,2S)-2-[[(2S)-2-[(1-methylindazole-3-carbonyl)amino]hexanoyl]amino]cyclopentane-1-carboxylic acid
CID 59453915
2-[(1-methylindole-2-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 23510298
cis-phenacyl (1R,2S)-2-[[(2S)-2-(naphthalene-2-carbonylamino)hexanoyl]amino]cyclopentane-1-carboxylate
CID 59453968
N-[(1S,2R)-2-[[(1S)-1-cyanobutyl]carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide;bis(N-[(1S,2R)-2-[(1-cyano-4-hydroxybutyl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide)
CID 158118235
cis-methyl (1R,2S)-2-[[(2S)-2-[(3-methoxybenzoyl)amino]hexanoyl]amino]cyclopentane-1-carboxylate
CID 59453905
cis-(1R,2S)-2-[[(2S)-2-[(6-chloropyridine-2-carbonyl)amino]hexanoyl]amino]cyclopentane-1-carboxylic acid
CID 59453841
cis-(1R,2S)-2-[[(2S)-2-[[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]amino]hexanoyl]amino]cyclopentane-1-carboxylic acid
CID 59454117
N-[(1S,2R)-2-(2-hydroxyethylcarbamoyl)cyclohexyl]-1-methylindole-2-carboxamide
CID 58808394

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(2R)-2-acetylcyclopentyl]amino]-1-oxohexan-2-yl]-1-methylindole-2-carboxamide?
The IUPAC name of N-[(2S)-1-[[(2R)-2-acetylcyclopentyl]amino]-1-oxohexan-2-yl]-1-methylindole-2-carboxamide (CID 59453796) is N-[(2S)-1-[[(2R)-2-acetylcyclopentyl]amino]-1-oxohexan-2-yl]-1-methylindole-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-[[(2R)-2-acetylcyclopentyl]amino]-1-oxohexan-2-yl]-1-methylindole-2-carboxamide?
The canonical SMILES for N-[(2S)-1-[[(2R)-2-acetylcyclopentyl]amino]-1-oxohexan-2-yl]-1-methylindole-2-carboxamide is CCCC[C@H](NC(=O)c1cc2ccccc2n1C)C(=O)NC1CCC[C@H]1C(C)=O.
What is the InChIKey of N-[(2S)-1-[[(2R)-2-acetylcyclopentyl]amino]-1-oxohexan-2-yl]-1-methylindole-2-carboxamide?
The InChIKey is ANSMYNWUYQVAHC-JVUMBYKBSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-4-5-11-19(22(28)24-18-12-8-10-17(18)15(2)27)25-23(29)21-14-16-9-6-7-13-20(16)26(21)3/h6-7,9,13-14,17-19H,4-5,8,10-12H2,1-3H3,(H,24,28)(H,25,29)/t17-,18?,19-/m0/s1.
What are the key properties of N-[(2S)-1-[[(2R)-2-acetylcyclopentyl]amino]-1-oxohexan-2-yl]-1-methylindole-2-carboxamide?
N-[(2S)-1-[[(2R)-2-acetylcyclopentyl]amino]-1-oxohexan-2-yl]-1-methylindole-2-carboxamide has a molecular weight of 397.52 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[(2R)-2-acetylcyclopentyl]amino]-1-oxohexan-2-yl]-1-methylindole-2-carboxamide is sourced from PubChem (CID 59453796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).