N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide

C20H27ClN2O4 — CID 47063320

IUPACN-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1c(Cl)cc(CNC(=O)C2CC(=O)N(C3CCCC3)C2)cc1OC
InChIInChI=1S/C20H27ClN2O4/c1-3-27-19-16(21)8-13(9-17(19)26-2)11-22-20(25)14-10-18(24)23(12-14)15-6-4-5-7-15/h8-9,14-15H,3-7,10-12H2,1-2H3,(H,22,25)
InChIKeyGAIFJUBISZNNAZ-UHFFFAOYSA-N
MW394.90 g/mol
LogP3.15
Rot. Bonds7

About N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide

N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 47063320) has the molecular formula C20H27ClN2O4 and a molecular weight of 394.90 g/mol. Its IUPAC name is N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
PubChem CID47063320
Molecular FormulaC20H27ClN2O4
Molecular Weight394.90 g/mol
Exact Mass394.17
IUPAC NameN-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1c(Cl)cc(CNC(=O)C2CC(=O)N(C3CCCC3)C2)cc1OC
InChIInChI=1S/C20H27ClN2O4/c1-3-27-19-16(21)8-13(9-17(19)26-2)11-22-20(25)14-10-18(24)23(12-14)15-6-4-5-7-15/h8-9,14-15H,3-7,10-12H2,1-2H3,(H,22,25)
InChIKeyGAIFJUBISZNNAZ-UHFFFAOYSA-N
XLogP3.15
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.90
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 71942205
(3S)-1-cyclopentyl-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 32734074
1-cyclobutyl-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 110687475
1-cyclohexyl-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4251315
N-(4-chloro-2,5-dimethoxyphenyl)-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide
CID 113185580
cis-(1S,2R)-2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125131649
(3S)-N-[(2-chlorophenyl)methyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 9364760
(3S)-1-cyclopentyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 9364638
1-[2-(3-chloro-4-ethoxy-5-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 20985584
1-cyclopentyl-N-[(2-ethoxy-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 72936301
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 90567832
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 2962391

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide (CID 47063320) is N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide is CCOc1c(Cl)cc(CNC(=O)C2CC(=O)N(C3CCCC3)C2)cc1OC.
What is the InChIKey of N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GAIFJUBISZNNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O4/c1-3-27-19-16(21)8-13(9-17(19)26-2)11-22-20(25)14-10-18(24)23(12-14)15-6-4-5-7-15/h8-9,14-15H,3-7,10-12H2,1-2H3,(H,22,25).
What are the key properties of N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 394.90 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 47063320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).