N-[(2S)-1-[[(1S,2R)-2-acetylcyclopentyl]amino]-1-oxohexan-2-yl]-3-methoxybenzamide

C21H30N2O4 — CID 59454084

IUPACN-[(2S)-1-[[(1S,2R)-2-acetylcyclopentyl]amino]-1-oxohexan-2-yl]-3-methoxybenzamide
SMILESCCCC[C@H](NC(=O)c1cccc(OC)c1)C(=O)N[C@H]1CCC[C@H]1C(C)=O
InChIInChI=1S/C21H30N2O4/c1-4-5-11-19(21(26)22-18-12-7-10-17(18)14(2)24)23-20(25)15-8-6-9-16(13-15)27-3/h6,8-9,13,17-19H,4-5,7,10-12H2,1-3H3,(H,22,26)(H,23,25)/t17-,18-,19-/m0/s1
InChIKeyHDFGXESKFLZNAW-FHWLQOOXSA-N
MW374.48 g/mol
LogP2.86
Rot. Bonds9

About N-[(2S)-1-[[(1S,2R)-2-acetylcyclopentyl]amino]-1-oxohexan-2-yl]-3-methoxybenzamide

N-[(2S)-1-[[(1S,2R)-2-acetylcyclopentyl]amino]-1-oxohexan-2-yl]-3-methoxybenzamide (PubChem CID 59454084) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is N-[(2S)-1-[[(1S,2R)-2-acetylcyclopentyl]amino]-1-oxohexan-2-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(1S,2R)-2-acetylcyclopentyl]amino]-1-oxohexan-2-yl]-3-methoxybenzamide
PubChem CID59454084
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC NameN-[(2S)-1-[[(1S,2R)-2-acetylcyclopentyl]amino]-1-oxohexan-2-yl]-3-methoxybenzamide
SMILESCCCC[C@H](NC(=O)c1cccc(OC)c1)C(=O)N[C@H]1CCC[C@H]1C(C)=O
InChIInChI=1S/C21H30N2O4/c1-4-5-11-19(21(26)22-18-12-7-10-17(18)14(2)24)23-20(25)15-8-6-9-16(13-15)27-3/h6,8-9,13,17-19H,4-5,7,10-12H2,1-3H3,(H,22,26)(H,23,25)/t17-,18-,19-/m0/s1
InChIKeyHDFGXESKFLZNAW-FHWLQOOXSA-N
XLogP2.86
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-[[(1S,2R)-2-acetylcyclopentyl]amino]-1-oxohexan-2-yl]-3-methoxybenzamide with MolForge

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Related Compounds

cis-methyl (1R,2S)-2-[[(2S)-2-[(3-methoxybenzoyl)amino]hexanoyl]amino]cyclopentane-1-carboxylate
CID 59453905
cis-phenacyl (1R,2S)-2-[[(2S)-2-(naphthalene-2-carbonylamino)hexanoyl]amino]cyclopentane-1-carboxylate
CID 59453968
N-[(2S)-1-[[(2R)-2-acetylcyclopentyl]amino]-1-oxohexan-2-yl]-1-methylindole-2-carboxamide
CID 59453796
N-[(2S)-1-[[(1S,2R)-2-acetylcyclopentyl]amino]-1-oxohexan-2-yl]-1-methylindole-2-carboxamide
CID 59453871
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-[[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]amino]hexanoyl]amino]cyclopentane-1-carboxylic acid
CID 59454117
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-[(1-ethyl-2-oxo-3,4-dihydroquinoline-7-carbonyl)amino]hexanoyl]amino]cyclopentane-1-carboxylic acid
CID 59453908
N-(2-tert-butylcyclohexyl)-3-methoxybenzamide
CID 17146888
N-(1-amino-1-sulfanylidenepentan-2-yl)-3-methoxybenzamide
CID 61121299
cis-methyl (1R,2S)-2-[[(2S)-2-[[3-[2-(oxan-2-yloxy)ethoxy]benzoyl]amino]-5-(phenylmethoxycarbonylamino)pentanoyl]amino]cyclopentane-1-carboxylate
CID 86644637
N-(2-bromocyclopentyl)-3-methoxybenzamide
CID 80662437

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(1S,2R)-2-acetylcyclopentyl]amino]-1-oxohexan-2-yl]-3-methoxybenzamide?
The IUPAC name of N-[(2S)-1-[[(1S,2R)-2-acetylcyclopentyl]amino]-1-oxohexan-2-yl]-3-methoxybenzamide (CID 59454084) is N-[(2S)-1-[[(1S,2R)-2-acetylcyclopentyl]amino]-1-oxohexan-2-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[(2S)-1-[[(1S,2R)-2-acetylcyclopentyl]amino]-1-oxohexan-2-yl]-3-methoxybenzamide?
The canonical SMILES for N-[(2S)-1-[[(1S,2R)-2-acetylcyclopentyl]amino]-1-oxohexan-2-yl]-3-methoxybenzamide is CCCC[C@H](NC(=O)c1cccc(OC)c1)C(=O)N[C@H]1CCC[C@H]1C(C)=O.
What is the InChIKey of N-[(2S)-1-[[(1S,2R)-2-acetylcyclopentyl]amino]-1-oxohexan-2-yl]-3-methoxybenzamide?
The InChIKey is HDFGXESKFLZNAW-FHWLQOOXSA-N. The full InChI is InChI=1S/C21H30N2O4/c1-4-5-11-19(21(26)22-18-12-7-10-17(18)14(2)24)23-20(25)15-8-6-9-16(13-15)27-3/h6,8-9,13,17-19H,4-5,7,10-12H2,1-3H3,(H,22,26)(H,23,25)/t17-,18-,19-/m0/s1.
What are the key properties of N-[(2S)-1-[[(1S,2R)-2-acetylcyclopentyl]amino]-1-oxohexan-2-yl]-3-methoxybenzamide?
N-[(2S)-1-[[(1S,2R)-2-acetylcyclopentyl]amino]-1-oxohexan-2-yl]-3-methoxybenzamide has a molecular weight of 374.48 g/mol, XLogP of 2.86, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[(1S,2R)-2-acetylcyclopentyl]amino]-1-oxohexan-2-yl]-3-methoxybenzamide is sourced from PubChem (CID 59454084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).