1-cyclobutyl-N-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C17H22N2O4 — CID 110687575

IUPAC1-cyclobutyl-N-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2CC(=O)N(C3CCC3)C2)c1
InChIInChI=1S/C17H22N2O4/c1-22-13-6-7-15(23-2)14(9-13)18-17(21)11-8-16(20)19(10-11)12-4-3-5-12/h6-7,9,11-12H,3-5,8,10H2,1-2H3,(H,18,21)
InChIKeyIEBXWFGVPVBDIH-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.04
Rot. Bonds5

About 1-cyclobutyl-N-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

1-cyclobutyl-N-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 110687575) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 1-cyclobutyl-N-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclobutyl-N-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID110687575
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name1-cyclobutyl-N-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2CC(=O)N(C3CCC3)C2)c1
InChIInChI=1S/C17H22N2O4/c1-22-13-6-7-15(23-2)14(9-13)18-17(21)11-8-16(20)19(10-11)12-4-3-5-12/h6-7,9,11-12H,3-5,8,10H2,1-2H3,(H,18,21)
InChIKeyIEBXWFGVPVBDIH-UHFFFAOYSA-N
XLogP2.04
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-5-methoxyphenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 119420735
1-cyclopentyl-N-(2-methoxy-5-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17081334
(3R)-1-cyclopentyl-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9364595
N-(2,5-dimethoxyphenyl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3160116
N-(4-chloro-2,5-dimethoxyphenyl)-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide
CID 113185580
(3S)-N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7033758
1-cyclopropyl-N-(2-methoxy-5-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 71944436
N-(2,4-dimethoxyphenyl)-1-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113184833
N-(2,5-dimethoxyphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 6484636
N-(2,5-dimethoxyphenyl)-1-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113189679
1-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46586094
1-cyclopentyl-N-(4-methoxy-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 146123420

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclobutyl-N-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 110687575) is 1-cyclobutyl-N-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclobutyl-N-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclobutyl-N-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(OC)c(NC(=O)C2CC(=O)N(C3CCC3)C2)c1.
What is the InChIKey of 1-cyclobutyl-N-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is IEBXWFGVPVBDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-22-13-6-7-15(23-2)14(9-13)18-17(21)11-8-16(20)19(10-11)12-4-3-5-12/h6-7,9,11-12H,3-5,8,10H2,1-2H3,(H,18,21).
What are the key properties of 1-cyclobutyl-N-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
1-cyclobutyl-N-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 318.37 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 110687575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).