benzyl 2-[[1-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclopentyl]methyl]-3-phenoxypropanoate

C30H38N2O5 — CID 59892212

IUPACbenzyl 2-[[1-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclopentyl]methyl]-3-phenoxypropanoate
SMILESO=C(OCc1ccccc1)C(COc1ccccc1)CC1(C(=O)NCCCN2CCCC2=O)CCCC1
InChIInChI=1S/C30H38N2O5/c33-27-15-9-19-32(27)20-10-18-31-29(35)30(16-7-8-17-30)21-25(23-36-26-13-5-2-6-14-26)28(34)37-22-24-11-3-1-4-12-24/h1-6,11-14,25H,7-10,15-23H2,(H,31,35)
InChIKeySQRSTBVQTXQSDN-UHFFFAOYSA-N
MW506.64 g/mol
LogP4.50
Rot. Bonds13

About benzyl 2-[[1-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclopentyl]methyl]-3-phenoxypropanoate

benzyl 2-[[1-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclopentyl]methyl]-3-phenoxypropanoate (PubChem CID 59892212) has the molecular formula C30H38N2O5 and a molecular weight of 506.64 g/mol. Its IUPAC name is benzyl 2-[[1-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclopentyl]methyl]-3-phenoxypropanoate.

Molecular Properties

Compound Namebenzyl 2-[[1-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclopentyl]methyl]-3-phenoxypropanoate
PubChem CID59892212
Molecular FormulaC30H38N2O5
Molecular Weight506.64 g/mol
Exact Mass506.28
IUPAC Namebenzyl 2-[[1-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclopentyl]methyl]-3-phenoxypropanoate
SMILESO=C(OCc1ccccc1)C(COc1ccccc1)CC1(C(=O)NCCCN2CCCC2=O)CCCC1
InChIInChI=1S/C30H38N2O5/c33-27-15-9-19-32(27)20-10-18-31-29(35)30(16-7-8-17-30)21-25(23-36-26-13-5-2-6-14-26)28(34)37-22-24-11-3-1-4-12-24/h1-6,11-14,25H,7-10,15-23H2,(H,31,35)
InChIKeySQRSTBVQTXQSDN-UHFFFAOYSA-N
XLogP4.50
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.64
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-N-[4-(2-oxopiperidin-1-yl)butyl]cyclobutane-1-carboxamide
CID 75379144
N-[3-(2-oxopyrrolidin-1-yl)propylamino]-1-(4-phenyl-2-phenylmethoxycarbonylbutyl)cyclopentan-1-amine oxide
CID 163753435
1-[3-[(4-phenylmethoxyphenyl)methylamino]propyl]pyrrolidin-2-one;hydrochloride
CID 17211904
benzyl N-[2-(2-oxopiperidin-1-yl)ethyl]carbamate
CID 110722771
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(4-phenylphenyl)acetamide
CID 27258939
1-[2-[(4-phenylmethoxyphenyl)methylamino]ethyl]pyrrolidin-2-one
CID 11381752
2-(dibenzylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86977003
1-amino-N-[3-(2-oxoazepan-1-yl)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119270408
N-[2-oxo-2-[3-(2-oxoazepan-1-yl)propylamino]ethyl]-2-phenylacetamide
CID 78802507
N-[3-(2-oxopyrrolidin-1-yl)propyl]-N'-phenyloxamide
CID 7541598
2-methyl-N'-[1-oxo-1-[2-(2-oxopyrrolidin-1-yl)ethylamino]-3-(4-phenylmethoxyphenyl)propan-2-yl]pentanediamide
CID 18464286
(2R)-2-(3-oxo-1H-isoindol-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-phenylpropanamide
CID 92886577

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[1-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclopentyl]methyl]-3-phenoxypropanoate?
The IUPAC name of benzyl 2-[[1-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclopentyl]methyl]-3-phenoxypropanoate (CID 59892212) is benzyl 2-[[1-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclopentyl]methyl]-3-phenoxypropanoate.
What is the SMILES notation for benzyl 2-[[1-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclopentyl]methyl]-3-phenoxypropanoate?
The canonical SMILES for benzyl 2-[[1-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclopentyl]methyl]-3-phenoxypropanoate is O=C(OCc1ccccc1)C(COc1ccccc1)CC1(C(=O)NCCCN2CCCC2=O)CCCC1.
What is the InChIKey of benzyl 2-[[1-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclopentyl]methyl]-3-phenoxypropanoate?
The InChIKey is SQRSTBVQTXQSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N2O5/c33-27-15-9-19-32(27)20-10-18-31-29(35)30(16-7-8-17-30)21-25(23-36-26-13-5-2-6-14-26)28(34)37-22-24-11-3-1-4-12-24/h1-6,11-14,25H,7-10,15-23H2,(H,31,35).
What are the key properties of benzyl 2-[[1-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclopentyl]methyl]-3-phenoxypropanoate?
benzyl 2-[[1-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclopentyl]methyl]-3-phenoxypropanoate has a molecular weight of 506.64 g/mol, XLogP of 4.50, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[1-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclopentyl]methyl]-3-phenoxypropanoate is sourced from PubChem (CID 59892212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).