1-cyclopentyl-N-[2-(2,3-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

C20H28N2O4 — CID 72852629

IUPAC1-cyclopentyl-N-[2-(2,3-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(CCNC(=O)C2CC(=O)N(C3CCCC3)C2)c1OC
InChIInChI=1S/C20H28N2O4/c1-25-17-9-5-6-14(19(17)26-2)10-11-21-20(24)15-12-18(23)22(13-15)16-7-3-4-8-16/h5-6,9,15-16H,3-4,7-8,10-13H2,1-2H3,(H,21,24)
InChIKeyHELSIVKEQFDHNS-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.15
Rot. Bonds7

About 1-cyclopentyl-N-[2-(2,3-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

1-cyclopentyl-N-[2-(2,3-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 72852629) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 1-cyclopentyl-N-[2-(2,3-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[2-(2,3-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID72852629
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name1-cyclopentyl-N-[2-(2,3-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(CCNC(=O)C2CC(=O)N(C3CCCC3)C2)c1OC
InChIInChI=1S/C20H28N2O4/c1-25-17-9-5-6-14(19(17)26-2)10-11-21-20(24)15-12-18(23)22(13-15)16-7-3-4-8-16/h5-6,9,15-16H,3-4,7-8,10-13H2,1-2H3,(H,21,24)
InChIKeyHELSIVKEQFDHNS-UHFFFAOYSA-N
XLogP2.15
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42916466
N-[2-(2-methoxyphenyl)ethyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46587014
1-(2,6-diethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113186883
(3R)-1-cyclopentyl-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9364595
(3R)-1-cyclopentyl-N-[3-(2-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 97147855
3-[2-[[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]amino]ethyl]benzoic acid
CID 125149425
(3S)-N-[2-(2-chloro-6-fluorophenyl)ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 97130733
(3S)-1-cyclopentyl-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 32734074
(3R)-1-cyclopentyl-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
CID 97124433
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 90567832
(3S)-1-cyclopentyl-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 94181168
1-cyclopentyl-N-[2-(5-methylthiophen-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 70742007

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[2-(2,3-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[2-(2,3-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 72852629) is 1-cyclopentyl-N-[2-(2,3-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[2-(2,3-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[2-(2,3-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is COc1cccc(CCNC(=O)C2CC(=O)N(C3CCCC3)C2)c1OC.
What is the InChIKey of 1-cyclopentyl-N-[2-(2,3-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HELSIVKEQFDHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-25-17-9-5-6-14(19(17)26-2)10-11-21-20(24)15-12-18(23)22(13-15)16-7-3-4-8-16/h5-6,9,15-16H,3-4,7-8,10-13H2,1-2H3,(H,21,24).
What are the key properties of 1-cyclopentyl-N-[2-(2,3-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
1-cyclopentyl-N-[2-(2,3-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 360.45 g/mol, XLogP of 2.15, 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-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 72852629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).