(3S)-1-(4-methoxyphenyl)-N-methyl-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-5-oxopyrrolidine-3-carboxamide

C18H23N3O4 — CID 95632538

IUPAC(3S)-1-(4-methoxyphenyl)-N-methyl-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2C[C@@H](C(=O)N(C)[C@@H]3CCN(C)C3=O)CC2=O)cc1
InChIInChI=1S/C18H23N3O4/c1-19-9-8-15(18(19)24)20(2)17(23)12-10-16(22)21(11-12)13-4-6-14(25-3)7-5-13/h4-7,12,15H,8-11H2,1-3H3/t12-,15+/m0/s1
InChIKeyOEAPZSQXWFCLHI-SWLSCSKDSA-N
MW345.40 g/mol
LogP0.74
Rot. Bonds4

About (3S)-1-(4-methoxyphenyl)-N-methyl-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-5-oxopyrrolidine-3-carboxamide

(3S)-1-(4-methoxyphenyl)-N-methyl-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 95632538) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is (3S)-1-(4-methoxyphenyl)-N-methyl-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-methoxyphenyl)-N-methyl-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID95632538
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name(3S)-1-(4-methoxyphenyl)-N-methyl-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2C[C@@H](C(=O)N(C)[C@@H]3CCN(C)C3=O)CC2=O)cc1
InChIInChI=1S/C18H23N3O4/c1-19-9-8-15(18(19)24)20(2)17(23)12-10-16(22)21(11-12)13-4-6-14(25-3)7-5-13/h4-7,12,15H,8-11H2,1-3H3/t12-,15+/m0/s1
InChIKeyOEAPZSQXWFCLHI-SWLSCSKDSA-N
XLogP0.74
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704642
(3S)-N-[(2S)-2-hydroxypropyl]-1-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 95972030
2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-propylamino]acetic acid
CID 119205358
N-cyclohexyl-1-(3-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 43053261
(4-methoxyphenyl) (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057140
1-[4-(4-methoxyphenoxy)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 46779179
N-tert-butyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6459120
5-[[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222487
N-cyclopropyl-1-(4-methoxyphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 46450259
(4-methoxyphenyl) (3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 7220496
1-[1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carbonyl]piperidine-4-carboxamide
CID 42534317
1-(3-methoxyphenyl)-N-methyl-N-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 46564890

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-methoxyphenyl)-N-methyl-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-methoxyphenyl)-N-methyl-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-5-oxopyrrolidine-3-carboxamide (CID 95632538) is (3S)-1-(4-methoxyphenyl)-N-methyl-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-methoxyphenyl)-N-methyl-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-methoxyphenyl)-N-methyl-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(N2C[C@@H](C(=O)N(C)[C@@H]3CCN(C)C3=O)CC2=O)cc1.
What is the InChIKey of (3S)-1-(4-methoxyphenyl)-N-methyl-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OEAPZSQXWFCLHI-SWLSCSKDSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-19-9-8-15(18(19)24)20(2)17(23)12-10-16(22)21(11-12)13-4-6-14(25-3)7-5-13/h4-7,12,15H,8-11H2,1-3H3/t12-,15+/m0/s1.
What are the key properties of (3S)-1-(4-methoxyphenyl)-N-methyl-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(4-methoxyphenyl)-N-methyl-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-methoxyphenyl)-N-methyl-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95632538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).