N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-3-[(2R)-oxolan-2-yl]propanamide

C18H24N2O3 — CID 94824555

IUPACN-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-3-[(2R)-oxolan-2-yl]propanamide
SMILESO=C(CC[C@H]1CCCO1)N[C@H]1CCN(Cc2ccccc2)C1=O
InChIInChI=1S/C18H24N2O3/c21-17(9-8-15-7-4-12-23-15)19-16-10-11-20(18(16)22)13-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2,(H,19,21)/t15-,16+/m1/s1
InChIKeyZOICPBGDMGISTO-CVEARBPZSA-N
MW316.40 g/mol
LogP1.86
Rot. Bonds6

About N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-3-[(2R)-oxolan-2-yl]propanamide

N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-3-[(2R)-oxolan-2-yl]propanamide (PubChem CID 94824555) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-3-[(2R)-oxolan-2-yl]propanamide.

Molecular Properties

Compound NameN-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-3-[(2R)-oxolan-2-yl]propanamide
PubChem CID94824555
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-3-[(2R)-oxolan-2-yl]propanamide
SMILESO=C(CC[C@H]1CCCO1)N[C@H]1CCN(Cc2ccccc2)C1=O
InChIInChI=1S/C18H24N2O3/c21-17(9-8-15-7-4-12-23-15)19-16-10-11-20(18(16)22)13-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2,(H,19,21)/t15-,16+/m1/s1
InChIKeyZOICPBGDMGISTO-CVEARBPZSA-N
XLogP1.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]-3-[(2R)-oxolan-2-yl]propanamide
CID 94824556
2-(4-aminophenyl)-N-(1-benzyl-2-oxopyrrolidin-3-yl)acetamide;hydrochloride
CID 119757803
4-[(1-benzyl-2-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120674455
2-[(1-benzyl-2-oxopyrrolidin-3-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120977235
(2S)-2-amino-N-(1-benzyl-2-oxopyrrolidin-3-yl)propanamide
CID 119308609
N-(1-benzyl-2-oxopyrrolidin-3-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119757847
N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 95589689
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-(oxolan-2-yl)propanamide
CID 107861226
N-(1-benzyl-2-oxopiperidin-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 136518534
N-(1-benzyl-2-oxopyrrolidin-3-yl)-3-piperidin-4-ylbutanamide
CID 119757834
3-benzyl-4-oxo-N-(oxolan-2-ylmethyl)imidazolidine-1-carboxamide
CID 75435937
N-(1-benzylpiperidin-3-yl)-N-methyl-3-(oxolan-2-yl)propanamide
CID 136511620

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-3-[(2R)-oxolan-2-yl]propanamide?
The IUPAC name of N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-3-[(2R)-oxolan-2-yl]propanamide (CID 94824555) is N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-3-[(2R)-oxolan-2-yl]propanamide.
What is the SMILES notation for N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-3-[(2R)-oxolan-2-yl]propanamide?
The canonical SMILES for N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-3-[(2R)-oxolan-2-yl]propanamide is O=C(CC[C@H]1CCCO1)N[C@H]1CCN(Cc2ccccc2)C1=O.
What is the InChIKey of N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-3-[(2R)-oxolan-2-yl]propanamide?
The InChIKey is ZOICPBGDMGISTO-CVEARBPZSA-N. The full InChI is InChI=1S/C18H24N2O3/c21-17(9-8-15-7-4-12-23-15)19-16-10-11-20(18(16)22)13-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2,(H,19,21)/t15-,16+/m1/s1.
What are the key properties of N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-3-[(2R)-oxolan-2-yl]propanamide?
N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-3-[(2R)-oxolan-2-yl]propanamide has a molecular weight of 316.40 g/mol, XLogP of 1.86, 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-2-oxopyrrolidin-3-yl]-3-[(2R)-oxolan-2-yl]propanamide is sourced from PubChem (CID 94824555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).