N-(2-methoxyphenyl)-2-(2-oxopropyl)pyrrolidine-1-carboxamide

C15H20N2O3 — CID 79547105

IUPACN-(2-methoxyphenyl)-2-(2-oxopropyl)pyrrolidine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCCC1CC(C)=O
InChIInChI=1S/C15H20N2O3/c1-11(18)10-12-6-5-9-17(12)15(19)16-13-7-3-4-8-14(13)20-2/h3-4,7-8,12H,5-6,9-10H2,1-2H3,(H,16,19)
InChIKeyQLQIWLXMVFPYGV-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.67
Rot. Bonds4

About N-(2-methoxyphenyl)-2-(2-oxopropyl)pyrrolidine-1-carboxamide

N-(2-methoxyphenyl)-2-(2-oxopropyl)pyrrolidine-1-carboxamide (PubChem CID 79547105) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-(2-oxopropyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-(2-oxopropyl)pyrrolidine-1-carboxamide
PubChem CID79547105
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-(2-methoxyphenyl)-2-(2-oxopropyl)pyrrolidine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCCC1CC(C)=O
InChIInChI=1S/C15H20N2O3/c1-11(18)10-12-6-5-9-17(12)15(19)16-13-7-3-4-8-14(13)20-2/h3-4,7-8,12H,5-6,9-10H2,1-2H3,(H,16,19)
InChIKeyQLQIWLXMVFPYGV-UHFFFAOYSA-N
XLogP2.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyphenyl)-2-(methylaminomethyl)pyrrolidine-1-carboxamide
CID 115316424
(2R)-N-(2-methoxyphenyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 95045652
N-(2-methoxyphenyl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 118766454
2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide
CID 47075835
2-N-(2,6-dimethylphenyl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 3219774
(2R)-2-N-(2,6-dimethylphenyl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468862
2-(benzenesulfonylmethyl)-N-(2,3-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 90585805
N-(2-ethoxyphenyl)-2-ethylpiperidine-1-carboxamide
CID 6468578
(2S)-N-(2-methoxyphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 94080897
N-(2-methoxyphenyl)-2-[[4-(morpholine-4-carbonyl)phenoxy]methyl]pyrrolidine-1-carboxamide
CID 163340101
2-[2-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]phenoxy]acetic acid
CID 63747068
(2R)-2-N-(2,4-dimethoxyphenyl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468706

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-(2-oxopropyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-2-(2-oxopropyl)pyrrolidine-1-carboxamide (CID 79547105) is N-(2-methoxyphenyl)-2-(2-oxopropyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-(2-oxopropyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-(2-oxopropyl)pyrrolidine-1-carboxamide is COc1ccccc1NC(=O)N1CCCC1CC(C)=O.
What is the InChIKey of N-(2-methoxyphenyl)-2-(2-oxopropyl)pyrrolidine-1-carboxamide?
The InChIKey is QLQIWLXMVFPYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11(18)10-12-6-5-9-17(12)15(19)16-13-7-3-4-8-14(13)20-2/h3-4,7-8,12H,5-6,9-10H2,1-2H3,(H,16,19).
What are the key properties of N-(2-methoxyphenyl)-2-(2-oxopropyl)pyrrolidine-1-carboxamide?
N-(2-methoxyphenyl)-2-(2-oxopropyl)pyrrolidine-1-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-(2-oxopropyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 79547105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).