(2S)-1-acetyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide

C14H18N2O2 — CID 784723

IUPAC(2S)-1-acetyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCC[C@H]1C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C14H18N2O2/c1-10-5-7-12(8-6-10)15-14(18)13-4-3-9-16(13)11(2)17/h5-8,13H,3-4,9H2,1-2H3,(H,15,18)/t13-/m0/s1
InChIKeyRJJMNVWZCCBWOL-ZDUSSCGKSA-N
MW246.31 g/mol
LogP1.94
Rot. Bonds2

About (2S)-1-acetyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide

(2S)-1-acetyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide (PubChem CID 784723) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is (2S)-1-acetyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-acetyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
PubChem CID784723
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name(2S)-1-acetyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCC[C@H]1C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C14H18N2O2/c1-10-5-7-12(8-6-10)15-14(18)13-4-3-9-16(13)11(2)17/h5-8,13H,3-4,9H2,1-2H3,(H,15,18)/t13-/m0/s1
InChIKeyRJJMNVWZCCBWOL-ZDUSSCGKSA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-acetyl-N-[4-[5-[4-[(1-acetylpyrrolidine-2-carbonyl)amino]phenyl]thiophen-2-yl]phenyl]pyrrolidine-2-carboxamide
CID 76815353
(2S)-1-acetyl-N-[4-[5-[4-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide
CID 53302967
1-methyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 110856789
1-acetyl-N-[4-[3-[4-[(1-acetylpyrrolidine-2-carbonyl)amino]phenyl]-1H-pyrazol-5-yl]phenyl]pyrrolidine-2-carboxamide
CID 172736681
(2R)-2-N-(3,4-dimethylphenyl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 51684738
(2S)-1-(4-methylbenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 92668343
1-acetyl-N-[4-(triazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 71878974
phenyl 2-[(4-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 655757
(2S)-1-(2-fluorobenzoyl)-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 92668196
(2S)-1-acetyl-N-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 71475860
1-N-benzyl-2-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3219635
(2S)-1-acetyl-N-(3-chlorophenyl)pyrrolidine-2-carboxamide
CID 91903420

Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-acetyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide (CID 784723) is (2S)-1-acetyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-acetyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-acetyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide is CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(C)cc1.
What is the InChIKey of (2S)-1-acetyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is RJJMNVWZCCBWOL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10-5-7-12(8-6-10)15-14(18)13-4-3-9-16(13)11(2)17/h5-8,13H,3-4,9H2,1-2H3,(H,15,18)/t13-/m0/s1.
What are the key properties of (2S)-1-acetyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide?
(2S)-1-acetyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-acetyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 784723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).