1-cyclopentyl-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide

C25H35N3O4 — CID 55358498

IUPAC1-cyclopentyl-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCc1cccc(NC(=O)CN(CC2CCCO2)C(=O)C2CC(=O)N(C3CCCC3)C2)c1C
InChIInChI=1S/C25H35N3O4/c1-17-7-5-11-22(18(17)2)26-23(29)16-27(15-21-10-6-12-32-21)25(31)19-13-24(30)28(14-19)20-8-3-4-9-20/h5,7,11,19-21H,3-4,6,8-10,12-16H2,1-2H3,(H,26,29)
InChIKeyPFSMVRQTYZVJSS-UHFFFAOYSA-N
MW441.57 g/mol
LogP3.04
Rot. Bonds7

About 1-cyclopentyl-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide

1-cyclopentyl-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 55358498) has the molecular formula C25H35N3O4 and a molecular weight of 441.57 g/mol. Its IUPAC name is 1-cyclopentyl-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID55358498
Molecular FormulaC25H35N3O4
Molecular Weight441.57 g/mol
Exact Mass441.26
IUPAC Name1-cyclopentyl-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCc1cccc(NC(=O)CN(CC2CCCO2)C(=O)C2CC(=O)N(C3CCCC3)C2)c1C
InChIInChI=1S/C25H35N3O4/c1-17-7-5-11-22(18(17)2)26-23(29)16-27(15-21-10-6-12-32-21)25(31)19-13-24(30)28(14-19)20-8-3-4-9-20/h5,7,11,19-21H,3-4,6,8-10,12-16H2,1-2H3,(H,26,29)
InChIKeyPFSMVRQTYZVJSS-UHFFFAOYSA-N
XLogP3.04
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.57
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cyclopentyl-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-oxo-N-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 55875470
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 55331500
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 8504343
N-(2,3-dimethylphenyl)-2-[oxolan-2-ylmethyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide
CID 86911150
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]furan-3-carboxamide
CID 8012550
N-(2,3-dimethylphenyl)-2-[[2-(2-fluorophenyl)sulfanylacetyl]-[[(2R)-oxolan-2-yl]methyl]amino]acetamide
CID 41306981
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-methyl-4-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 8504329
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 55369492
N-(2,3-dimethylphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 2078790
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)triazole-4-carboxamide
CID 78873041
1-cyclopentyl-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 55359330
(E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-(furan-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]prop-2-enamide
CID 8504305

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide (CID 55358498) is 1-cyclopentyl-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide is Cc1cccc(NC(=O)CN(CC2CCCO2)C(=O)C2CC(=O)N(C3CCCC3)C2)c1C.
What is the InChIKey of 1-cyclopentyl-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is PFSMVRQTYZVJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O4/c1-17-7-5-11-22(18(17)2)26-23(29)16-27(15-21-10-6-12-32-21)25(31)19-13-24(30)28(14-19)20-8-3-4-9-20/h5,7,11,19-21H,3-4,6,8-10,12-16H2,1-2H3,(H,26,29).
What are the key properties of 1-cyclopentyl-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide?
1-cyclopentyl-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 441.57 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55358498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).