N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(furan-2-yl)propanamide

C18H20N2O3 — CID 95316735

IUPACN-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(furan-2-yl)propanamide
SMILESO=C(CCc1ccco1)N[C@H]1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C18H20N2O3/c21-17(9-8-16-7-4-10-23-16)19-15-11-18(22)20(13-15)12-14-5-2-1-3-6-14/h1-7,10,15H,8-9,11-13H2,(H,19,21)/t15-/m0/s1
InChIKeyHVQLPWPMMHUMGO-HNNXBMFYSA-N
MW312.37 g/mol
LogP2.13
Rot. Bonds6

About N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(furan-2-yl)propanamide

N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(furan-2-yl)propanamide (PubChem CID 95316735) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(furan-2-yl)propanamide.

Molecular Properties

Compound NameN-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(furan-2-yl)propanamide
PubChem CID95316735
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(furan-2-yl)propanamide
SMILESO=C(CCc1ccco1)N[C@H]1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C18H20N2O3/c21-17(9-8-16-7-4-10-23-16)19-15-11-18(22)20(13-15)12-14-5-2-1-3-6-14/h1-7,10,15H,8-9,11-13H2,(H,19,21)/t15-/m0/s1
InChIKeyHVQLPWPMMHUMGO-HNNXBMFYSA-N
XLogP2.13
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(furan-2-yl)propanamide
CID 86934136
(E)-N-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(furan-2-yl)prop-2-enamide
CID 95594085
1-(furan-2-ylmethyl)-3-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]urea
CID 25373724
3-(furan-2-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 45244355
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-tert-butylurea
CID 108876426
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(4-phenylbutyl)urea
CID 108876718
3-methoxy-N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]propanamide
CID 25395480
1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(1-methylpiperidin-4-yl)urea
CID 95598501
4-benzyl-N-(1-benzyl-5-oxopyrrolidin-3-yl)piperazine-1-carboxamide
CID 108876487
N-(1-benzyl-5-oxopyrrolidin-3-yl)thiomorpholine-4-carboxamide
CID 56826197
N-[4-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]phenyl]acetamide
CID 108876378
3-(1-benzyl-5-oxopyrrolidin-3-yl)-1,1-dipropylurea
CID 108876584

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(furan-2-yl)propanamide?
The IUPAC name of N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(furan-2-yl)propanamide (CID 95316735) is N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(furan-2-yl)propanamide.
What is the SMILES notation for N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(furan-2-yl)propanamide?
The canonical SMILES for N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(furan-2-yl)propanamide is O=C(CCc1ccco1)N[C@H]1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(furan-2-yl)propanamide?
The InChIKey is HVQLPWPMMHUMGO-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20N2O3/c21-17(9-8-16-7-4-10-23-16)19-15-11-18(22)20(13-15)12-14-5-2-1-3-6-14/h1-7,10,15H,8-9,11-13H2,(H,19,21)/t15-/m0/s1.
What are the key properties of N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(furan-2-yl)propanamide?
N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(furan-2-yl)propanamide has a molecular weight of 312.37 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(furan-2-yl)propanamide is sourced from PubChem (CID 95316735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).