(3R)-1-cyclopropyl-N-(3,4-diethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C18H24N2O4 — CID 38207326

IUPAC(3R)-1-cyclopropyl-N-(3,4-diethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(C3CC3)C2)cc1OCC
InChIInChI=1S/C18H24N2O4/c1-3-23-15-8-5-13(10-16(15)24-4-2)19-18(22)12-9-17(21)20(11-12)14-6-7-14/h5,8,10,12,14H,3-4,6-7,9,11H2,1-2H3,(H,19,22)/t12-/m1/s1
InChIKeyXAZWXZQXNUMMFF-GFCCVEGCSA-N
MW332.40 g/mol
LogP2.43
Rot. Bonds7

About (3R)-1-cyclopropyl-N-(3,4-diethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-1-cyclopropyl-N-(3,4-diethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 38207326) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is (3R)-1-cyclopropyl-N-(3,4-diethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-cyclopropyl-N-(3,4-diethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID38207326
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name(3R)-1-cyclopropyl-N-(3,4-diethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(C3CC3)C2)cc1OCC
InChIInChI=1S/C18H24N2O4/c1-3-23-15-8-5-13(10-16(15)24-4-2)19-18(22)12-9-17(21)20(11-12)14-6-7-14/h5,8,10,12,14H,3-4,6-7,9,11H2,1-2H3,(H,19,22)/t12-/m1/s1
InChIKeyXAZWXZQXNUMMFF-GFCCVEGCSA-N
XLogP2.43
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethoxyphenyl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 90567907
1-(3-chlorophenyl)-N-(3,4-diethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46597575
(3R)-1-cyclohexyl-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1084043
(3R)-N-(4-ethoxy-3-methoxyphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9102375
(3R)-N-(3-acetylphenyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 39954335
1-cyclohexyl-N-[2-(2-ethoxyphenyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46978039
(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-ethoxy-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9102355
1-(3,4-dimethoxyphenyl)-N-(3,4-dipropoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55573017
N-(4-acetamidophenyl)-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide
CID 113185550
ethyl 4-[4-[(4-fluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate
CID 113185240
1-cyclobutyl-N-(3,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 110687616
(3R)-N-(4-bromo-3-methylphenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 8572465

Frequently Asked Questions

What is the IUPAC name of (3R)-1-cyclopropyl-N-(3,4-diethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-cyclopropyl-N-(3,4-diethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 38207326) is (3R)-1-cyclopropyl-N-(3,4-diethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-cyclopropyl-N-(3,4-diethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-cyclopropyl-N-(3,4-diethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(C3CC3)C2)cc1OCC.
What is the InChIKey of (3R)-1-cyclopropyl-N-(3,4-diethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XAZWXZQXNUMMFF-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-3-23-15-8-5-13(10-16(15)24-4-2)19-18(22)12-9-17(21)20(11-12)14-6-7-14/h5,8,10,12,14H,3-4,6-7,9,11H2,1-2H3,(H,19,22)/t12-/m1/s1.
What are the key properties of (3R)-1-cyclopropyl-N-(3,4-diethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-1-cyclopropyl-N-(3,4-diethoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cyclopropyl-N-(3,4-diethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 38207326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).