1-(2,4-dimethoxyphenyl)-5-oxo-N-[1-oxo-1-(1-phenylethylamino)propan-2-yl]pyrrolidine-3-carboxamide

C24H29N3O5 — CID 4900418

IUPAC1-(2,4-dimethoxyphenyl)-5-oxo-N-[1-oxo-1-(1-phenylethylamino)propan-2-yl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)NC(C)C(=O)NC(C)c3ccccc3)CC2=O)c(OC)c1
InChIInChI=1S/C24H29N3O5/c1-15(17-8-6-5-7-9-17)25-23(29)16(2)26-24(30)18-12-22(28)27(14-18)20-11-10-19(31-3)13-21(20)32-4/h5-11,13,15-16,18H,12,14H2,1-4H3,(H,25,29)(H,26,30)
InChIKeyYAIFVIGWQARGRR-UHFFFAOYSA-N
MW439.51 g/mol
LogP2.44
Rot. Bonds8

About 1-(2,4-dimethoxyphenyl)-5-oxo-N-[1-oxo-1-(1-phenylethylamino)propan-2-yl]pyrrolidine-3-carboxamide

1-(2,4-dimethoxyphenyl)-5-oxo-N-[1-oxo-1-(1-phenylethylamino)propan-2-yl]pyrrolidine-3-carboxamide (PubChem CID 4900418) has the molecular formula C24H29N3O5 and a molecular weight of 439.51 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-5-oxo-N-[1-oxo-1-(1-phenylethylamino)propan-2-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-5-oxo-N-[1-oxo-1-(1-phenylethylamino)propan-2-yl]pyrrolidine-3-carboxamide
PubChem CID4900418
Molecular FormulaC24H29N3O5
Molecular Weight439.51 g/mol
Exact Mass439.21
IUPAC Name1-(2,4-dimethoxyphenyl)-5-oxo-N-[1-oxo-1-(1-phenylethylamino)propan-2-yl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)NC(C)C(=O)NC(C)c3ccccc3)CC2=O)c(OC)c1
InChIInChI=1S/C24H29N3O5/c1-15(17-8-6-5-7-9-17)25-23(29)16(2)26-24(30)18-12-22(28)27(14-18)20-11-10-19(31-3)13-21(20)32-4/h5-11,13,15-16,18H,12,14H2,1-4H3,(H,25,29)(H,26,30)
InChIKeyYAIFVIGWQARGRR-UHFFFAOYSA-N
XLogP2.44
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-benzhydryl-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40965651
(3S)-1-(2-methoxyphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9004996
4-[[1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid
CID 120689383
1-(2,4-dimethoxyphenyl)-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 4871430
1-(4-methoxyphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 4714649
(3R)-1-(2,4-dimethoxyphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 40720280
1-[2-[[1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]piperidine-4-carboxylic acid
CID 4908740
(3R)-1-(2,4-dimethoxyphenyl)-N-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9351694
2-cyclopropyl-2-[[1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
CID 120686705
(3S)-1-(2,4-dimethoxyphenyl)-N-[(2S)-6-methylheptan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9268410
(3S)-1-(2,5-dimethoxyphenyl)-5-oxo-N-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]pyrrolidine-3-carboxamide
CID 51935649
(3R)-1-(2,5-dimethoxyphenyl)-5-oxo-N-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]pyrrolidine-3-carboxamide
CID 51935647

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-5-oxo-N-[1-oxo-1-(1-phenylethylamino)propan-2-yl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-5-oxo-N-[1-oxo-1-(1-phenylethylamino)propan-2-yl]pyrrolidine-3-carboxamide (CID 4900418) is 1-(2,4-dimethoxyphenyl)-5-oxo-N-[1-oxo-1-(1-phenylethylamino)propan-2-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-5-oxo-N-[1-oxo-1-(1-phenylethylamino)propan-2-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-5-oxo-N-[1-oxo-1-(1-phenylethylamino)propan-2-yl]pyrrolidine-3-carboxamide is COc1ccc(N2CC(C(=O)NC(C)C(=O)NC(C)c3ccccc3)CC2=O)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-5-oxo-N-[1-oxo-1-(1-phenylethylamino)propan-2-yl]pyrrolidine-3-carboxamide?
The InChIKey is YAIFVIGWQARGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5/c1-15(17-8-6-5-7-9-17)25-23(29)16(2)26-24(30)18-12-22(28)27(14-18)20-11-10-19(31-3)13-21(20)32-4/h5-11,13,15-16,18H,12,14H2,1-4H3,(H,25,29)(H,26,30).
What are the key properties of 1-(2,4-dimethoxyphenyl)-5-oxo-N-[1-oxo-1-(1-phenylethylamino)propan-2-yl]pyrrolidine-3-carboxamide?
1-(2,4-dimethoxyphenyl)-5-oxo-N-[1-oxo-1-(1-phenylethylamino)propan-2-yl]pyrrolidine-3-carboxamide has a molecular weight of 439.51 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-5-oxo-N-[1-oxo-1-(1-phenylethylamino)propan-2-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 4900418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).