1-(4-methoxyphenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]cyclopentane-1-carboxamide

C20H28N2O3 — CID 94832583

IUPAC1-(4-methoxyphenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]cyclopentane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)N[C@@H](C)C(=O)N3CCCC3)CCCC2)cc1
InChIInChI=1S/C20H28N2O3/c1-15(18(23)22-13-5-6-14-22)21-19(24)20(11-3-4-12-20)16-7-9-17(25-2)10-8-16/h7-10,15H,3-6,11-14H2,1-2H3,(H,21,24)/t15-/m0/s1
InChIKeyOCXQXPGALPXSIM-HNNXBMFYSA-N
MW344.46 g/mol
LogP2.63
Rot. Bonds5

About 1-(4-methoxyphenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]cyclopentane-1-carboxamide

1-(4-methoxyphenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]cyclopentane-1-carboxamide (PubChem CID 94832583) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]cyclopentane-1-carboxamide
PubChem CID94832583
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name1-(4-methoxyphenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]cyclopentane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)N[C@@H](C)C(=O)N3CCCC3)CCCC2)cc1
InChIInChI=1S/C20H28N2O3/c1-15(18(23)22-13-5-6-14-22)21-19(24)20(11-3-4-12-20)16-7-9-17(25-2)10-8-16/h7-10,15H,3-6,11-14H2,1-2H3,(H,21,24)/t15-/m0/s1
InChIKeyOCXQXPGALPXSIM-HNNXBMFYSA-N
XLogP2.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 110487274
1-amino-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 60944631
N-[1-(4-methoxyphenyl)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 110437540
3-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]-2-methylpropanoic acid
CID 119237635
N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-1-phenylcyclopentane-1-carboxamide
CID 100615641
1-(4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 53016794
2-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]propanoic acid
CID 119225858
1-amino-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119292056
1-(4-methoxyphenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide
CID 56645217
[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea
CID 18159287
methyl 3-(4-aminophenyl)-2-[[1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]propanoate
CID 23384194
2-(4-methoxyphenyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one
CID 132760012

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]cyclopentane-1-carboxamide (CID 94832583) is 1-(4-methoxyphenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]cyclopentane-1-carboxamide is COc1ccc(C2(C(=O)N[C@@H](C)C(=O)N3CCCC3)CCCC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]cyclopentane-1-carboxamide?
The InChIKey is OCXQXPGALPXSIM-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-15(18(23)22-13-5-6-14-22)21-19(24)20(11-3-4-12-20)16-7-9-17(25-2)10-8-16/h7-10,15H,3-6,11-14H2,1-2H3,(H,21,24)/t15-/m0/s1.
What are the key properties of 1-(4-methoxyphenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]cyclopentane-1-carboxamide?
1-(4-methoxyphenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]cyclopentane-1-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 94832583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).