N-(3-acetylphenyl)-2-ethylpyrrolidine-1-carboxamide

C15H20N2O2 — CID 61345256

IUPACN-(3-acetylphenyl)-2-ethylpyrrolidine-1-carboxamide
SMILESCCC1CCCN1C(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C15H20N2O2/c1-3-14-8-5-9-17(14)15(19)16-13-7-4-6-12(10-13)11(2)18/h4,6-7,10,14H,3,5,8-9H2,1-2H3,(H,16,19)
InChIKeyMIMWOWZULAPWRL-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.30
Rot. Bonds3

About N-(3-acetylphenyl)-2-ethylpyrrolidine-1-carboxamide

N-(3-acetylphenyl)-2-ethylpyrrolidine-1-carboxamide (PubChem CID 61345256) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-ethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-ethylpyrrolidine-1-carboxamide
PubChem CID61345256
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-(3-acetylphenyl)-2-ethylpyrrolidine-1-carboxamide
SMILESCCC1CCCN1C(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C15H20N2O2/c1-3-14-8-5-9-17(14)15(19)16-13-7-4-6-12(10-13)11(2)18/h4,6-7,10,14H,3,5,8-9H2,1-2H3,(H,16,19)
InChIKeyMIMWOWZULAPWRL-UHFFFAOYSA-N
XLogP3.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide
CID 7190614
N-(3-acetylphenyl)-2-propylpiperidine-1-carboxamide
CID 83046098
N-(3-acetylphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide
CID 61346659
N-(3-acetylphenyl)-2-ethylpiperidine-1-carbothioamide
CID 19654734
N-(3-acetylphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide
CID 109056486
N-(3-acetylphenyl)-2,3-dimethylpiperidine-1-carboxamide
CID 62124695
N-(3-acetylphenyl)-3-(2-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 108966674
(2R)-N-(3-acetylphenyl)-2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 96998424
(2R)-2-ethyl-N-phenylpiperidine-1-carboxamide
CID 728630
2-ethyl-N-[3-[1-(ethylamino)ethyl]phenyl]pyrrolidine-1-carboxamide
CID 61340887
4-[(2-ethylpyrrolidine-1-carbonyl)amino]-2-hydroxybenzoic acid
CID 61207094
1-[3-[[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]ethanone
CID 109240561

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-ethylpyrrolidine-1-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-2-ethylpyrrolidine-1-carboxamide (CID 61345256) is N-(3-acetylphenyl)-2-ethylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-ethylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-2-ethylpyrrolidine-1-carboxamide is CCC1CCCN1C(=O)Nc1cccc(C(C)=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-ethylpyrrolidine-1-carboxamide?
The InChIKey is MIMWOWZULAPWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-14-8-5-9-17(14)15(19)16-13-7-4-6-12(10-13)11(2)18/h4,6-7,10,14H,3,5,8-9H2,1-2H3,(H,16,19).
What are the key properties of N-(3-acetylphenyl)-2-ethylpyrrolidine-1-carboxamide?
N-(3-acetylphenyl)-2-ethylpyrrolidine-1-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-ethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 61345256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).