(3S)-N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide

C17H21N3O3 — CID 97315048

IUPAC(3S)-N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1C[C@@H](C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)CC1=O
InChIInChI=1S/C17H21N3O3/c1-19-11-13(9-15(19)21)16(22)18-14-7-8-20(17(14)23)10-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3,(H,18,22)/t13-,14-/m0/s1
InChIKeyYFHUAEIPKAVAMS-KBPBESRZSA-N
MW315.37 g/mol
LogP0.38
Rot. Bonds4

About (3S)-N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide

(3S)-N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 97315048) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is (3S)-N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID97315048
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name(3S)-N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1C[C@@H](C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)CC1=O
InChIInChI=1S/C17H21N3O3/c1-19-11-13(9-15(19)21)16(22)18-14-7-8-20(17(14)23)10-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3,(H,18,22)/t13-,14-/m0/s1
InChIKeyYFHUAEIPKAVAMS-KBPBESRZSA-N
XLogP0.38
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 97315046
4-[(1-benzyl-2-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120674455
(3S)-N-[(3R)-1-benzylpiperidin-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 95136177
N-(1-benzylpyrrolidin-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 75460856
(3S)-1-acetyl-N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]piperidine-3-carboxamide
CID 97315039
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)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 71936343
cis-(1R,3R)-N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 95139850
N-(1-benzylpiperidin-4-yl)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 108800210
2-(4-aminophenyl)-N-(1-benzyl-2-oxopyrrolidin-3-yl)acetamide;hydrochloride
CID 119757803
(3R)-1-benzyl-N-[(1S,2S)-2-methylcyclohexyl]-5-oxopyrrolidine-3-carboxamide
CID 51671621

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 97315048) is (3S)-N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide is CN1C[C@@H](C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)CC1=O.
What is the InChIKey of (3S)-N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YFHUAEIPKAVAMS-KBPBESRZSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-19-11-13(9-15(19)21)16(22)18-14-7-8-20(17(14)23)10-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3,(H,18,22)/t13-,14-/m0/s1.
What are the key properties of (3S)-N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
(3S)-N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 97315048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).