1-cyclopentyl-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide

C20H29N3O3 — CID 87006886

IUPAC1-cyclopentyl-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)CCOc1ccc(NC(=O)C2CC(=O)N(C3CCCC3)C2)cc1
InChIInChI=1S/C20H29N3O3/c1-22(2)11-12-26-18-9-7-16(8-10-18)21-20(25)15-13-19(24)23(14-15)17-5-3-4-6-17/h7-10,15,17H,3-6,11-14H2,1-2H3,(H,21,25)
InChIKeyHVEDNLZYGILSKS-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.36
Rot. Bonds7

About 1-cyclopentyl-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide

1-cyclopentyl-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 87006886) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-cyclopentyl-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID87006886
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name1-cyclopentyl-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)CCOc1ccc(NC(=O)C2CC(=O)N(C3CCCC3)C2)cc1
InChIInChI=1S/C20H29N3O3/c1-22(2)11-12-26-18-9-7-16(8-10-18)21-20(25)15-13-19(24)23(14-15)17-5-3-4-6-17/h7-10,15,17H,3-6,11-14H2,1-2H3,(H,21,25)
InChIKeyHVEDNLZYGILSKS-UHFFFAOYSA-N
XLogP2.36
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-cyclohexyl-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1084043
N-(4-acetamidophenyl)-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide
CID 113185550
(3R)-1-cyclohexyl-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40596002
1-cycloheptyl-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 113185562
methyl 4-[[(3S)-1-cyclohexyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 40636618
(3S)-1-cyclohexyl-N-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 40830625
(3S)-N-(4-acetylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 802193
propyl 4-[[(3R)-1-cyclohexyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 40830394
(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2266114
(3R)-1-cyclopentyl-5-oxo-N-(4-phenylphenyl)pyrrolidine-3-carboxamide
CID 8571471
N-(4-tert-butylphenyl)-1-cyclobutyl-5-oxopyrrolidine-3-carboxamide
CID 110687552
N-[4-(2-chlorophenoxy)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 131906342

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide (CID 87006886) is 1-cyclopentyl-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide is CN(C)CCOc1ccc(NC(=O)C2CC(=O)N(C3CCCC3)C2)cc1.
What is the InChIKey of 1-cyclopentyl-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HVEDNLZYGILSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-22(2)11-12-26-18-9-7-16(8-10-18)21-20(25)15-13-19(24)23(14-15)17-5-3-4-6-17/h7-10,15,17H,3-6,11-14H2,1-2H3,(H,21,25).
What are the key properties of 1-cyclopentyl-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide?
1-cyclopentyl-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 87006886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).