N-(3-acetylphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide

C15H20N2O3 — CID 64599067

IUPACN-(3-acetylphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide
SMILESCOCC1CCN(C(=O)Nc2cccc(C(C)=O)c2)C1
InChIInChI=1S/C15H20N2O3/c1-11(18)13-4-3-5-14(8-13)16-15(19)17-7-6-12(9-17)10-20-2/h3-5,8,12H,6-7,9-10H2,1-2H3,(H,16,19)
InChIKeyVDYGVSDVOBQGKT-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.39
Rot. Bonds4

About N-(3-acetylphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide

N-(3-acetylphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide (PubChem CID 64599067) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide
PubChem CID64599067
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-(3-acetylphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide
SMILESCOCC1CCN(C(=O)Nc2cccc(C(C)=O)c2)C1
InChIInChI=1S/C15H20N2O3/c1-11(18)13-4-3-5-14(8-13)16-15(19)17-7-6-12(9-17)10-20-2/h3-5,8,12H,6-7,9-10H2,1-2H3,(H,16,19)
InChIKeyVDYGVSDVOBQGKT-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]benzoic acid
CID 63980183
N-(3-acetylphenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 115647557
N-(3-acetylphenyl)-3-hydroxy-4-methylpiperidine-1-carboxamide
CID 103896288
N-[4-(1-hydroxyethyl)phenyl]-3-(methoxymethyl)pyrrolidine-1-carboxamide
CID 64599250
(3R)-1-[(3-acetylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512783
N-(3-acetylphenyl)-4-[3-hydroxypropyl(methyl)amino]piperidine-1-carboxamide
CID 71931011
(2S,6S)-N-(3-acetylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 969916
N-(3-acetylphenyl)-4-[(4-methoxybenzoyl)amino]piperidine-1-carboxamide
CID 43814135
2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid
CID 64597013
5-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]pyridine-3-carboxylic acid
CID 63978450
N-(1,3-dimethyl-2,4-dioxoquinazolin-7-yl)-3-(methoxymethyl)pyrrolidine-1-carboxamide
CID 136563804
4-(methoxymethyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 121091713

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide (CID 64599067) is N-(3-acetylphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide is COCC1CCN(C(=O)Nc2cccc(C(C)=O)c2)C1.
What is the InChIKey of N-(3-acetylphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is VDYGVSDVOBQGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11(18)13-4-3-5-14(8-13)16-15(19)17-7-6-12(9-17)10-20-2/h3-5,8,12H,6-7,9-10H2,1-2H3,(H,16,19).
What are the key properties of N-(3-acetylphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide?
N-(3-acetylphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 64599067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).