1-acetyl-N,N-dimethyl-2-phenylpyrrolidine-3-carboxamide

C15H20N2O2 — CID 156736500

IUPAC1-acetyl-N,N-dimethyl-2-phenylpyrrolidine-3-carboxamide
SMILESCC(=O)N1CCC(C(=O)N(C)C)C1c1ccccc1
InChIInChI=1S/C15H20N2O2/c1-11(18)17-10-9-13(15(19)16(2)3)14(17)12-7-5-4-6-8-12/h4-8,13-14H,9-10H2,1-3H3
InChIKeyFKETXZBGYPJDRW-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.68
Rot. Bonds2

About 1-acetyl-N,N-dimethyl-2-phenylpyrrolidine-3-carboxamide

1-acetyl-N,N-dimethyl-2-phenylpyrrolidine-3-carboxamide (PubChem CID 156736500) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-acetyl-N,N-dimethyl-2-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N,N-dimethyl-2-phenylpyrrolidine-3-carboxamide
PubChem CID156736500
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-acetyl-N,N-dimethyl-2-phenylpyrrolidine-3-carboxamide
SMILESCC(=O)N1CCC(C(=O)N(C)C)C1c1ccccc1
InChIInChI=1S/C15H20N2O2/c1-11(18)17-10-9-13(15(19)16(2)3)14(17)12-7-5-4-6-8-12/h4-8,13-14H,9-10H2,1-3H3
InChIKeyFKETXZBGYPJDRW-UHFFFAOYSA-N
XLogP1.68
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3R)-1-acetyl-2-(4-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 56926799
methyl (2S,3R)-1-(2-chloroacetyl)-2-phenylpyrrolidine-3-carboxylate
CID 154856703
1-methyl-2-phenylpyrrolidine-3-carboxylic acid
CID 71778186
1-[(1S,4aS,8aR)-4a-hydroxy-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]ethanone
CID 5338445
1-methyl-2-phenylpyrrolidine-3-carboxylic acid;hydrochloride
CID 122360453
(2R,3S)-N,N-dimethyl-2,3-diphenylaziridine-1-carboxamide
CID 10015778
(2S,4R,5S)-4-amino-N,N,1-trimethyl-5-phenylpyrrolidine-2-carboxamide
CID 110138641
1-acetyl-N,N,3-trimethylpyrrolidine-2-carboxamide
CID 118262712
N-(3-amino-2,2-dimethylpropyl)-N,1-dimethyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 119654753
(2R)-4-acetyl-N,N-dimethyl-1-(2-phenylacetyl)piperazine-2-carboxamide
CID 95826147
(2R,3R)-N-benzyl-1-ethyl-N-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 110086806
(2S,3R)-1-methyl-2-phenylpiperidine-3-carboxylic acid
CID 67820250

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N,N-dimethyl-2-phenylpyrrolidine-3-carboxamide?
The IUPAC name of 1-acetyl-N,N-dimethyl-2-phenylpyrrolidine-3-carboxamide (CID 156736500) is 1-acetyl-N,N-dimethyl-2-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N,N-dimethyl-2-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N,N-dimethyl-2-phenylpyrrolidine-3-carboxamide is CC(=O)N1CCC(C(=O)N(C)C)C1c1ccccc1.
What is the InChIKey of 1-acetyl-N,N-dimethyl-2-phenylpyrrolidine-3-carboxamide?
The InChIKey is FKETXZBGYPJDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11(18)17-10-9-13(15(19)16(2)3)14(17)12-7-5-4-6-8-12/h4-8,13-14H,9-10H2,1-3H3.
What are the key properties of 1-acetyl-N,N-dimethyl-2-phenylpyrrolidine-3-carboxamide?
1-acetyl-N,N-dimethyl-2-phenylpyrrolidine-3-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N,N-dimethyl-2-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 156736500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).