3-[(2S)-2-ethylpyrrolidine-1-carbonyl]-5-methylbenzamide

C15H20N2O2 — CID 142673349

IUPAC3-[(2S)-2-ethylpyrrolidine-1-carbonyl]-5-methylbenzamide
SMILESCC[C@H]1CCCN1C(=O)c1cc(C)cc(C(N)=O)c1
InChIInChI=1S/C15H20N2O2/c1-3-13-5-4-6-17(13)15(19)12-8-10(2)7-11(9-12)14(16)18/h7-9,13H,3-6H2,1-2H3,(H2,16,18)/t13-/m0/s1
InChIKeyJHLRTIFTZSWWIR-ZDUSSCGKSA-N
MW260.34 g/mol
LogP2.11
Rot. Bonds3

About 3-[(2S)-2-ethylpyrrolidine-1-carbonyl]-5-methylbenzamide

3-[(2S)-2-ethylpyrrolidine-1-carbonyl]-5-methylbenzamide (PubChem CID 142673349) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-[(2S)-2-ethylpyrrolidine-1-carbonyl]-5-methylbenzamide.

Molecular Properties

Compound Name3-[(2S)-2-ethylpyrrolidine-1-carbonyl]-5-methylbenzamide
PubChem CID142673349
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-[(2S)-2-ethylpyrrolidine-1-carbonyl]-5-methylbenzamide
SMILESCC[C@H]1CCCN1C(=O)c1cc(C)cc(C(N)=O)c1
InChIInChI=1S/C15H20N2O2/c1-3-13-5-4-6-17(13)15(19)12-8-10(2)7-11(9-12)14(16)18/h7-9,13H,3-6H2,1-2H3,(H2,16,18)/t13-/m0/s1
InChIKeyJHLRTIFTZSWWIR-ZDUSSCGKSA-N
XLogP2.11
TPSA63.40 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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-5-methylbenzamide
CID 90757369
(3-chloro-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 71025506
3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-5-methylbenzoic acid
CID 141091395
[2-(chloromethyl)pyrrolidin-1-yl]-(3,5-dimethylphenyl)methanone
CID 63394765
3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-5-methylbenzoic acid;hydrochloride
CID 141091394
2-[1-(3,5-dimethylbenzoyl)pyrrolidin-2-yl]acetic acid
CID 61370453
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(3-fluoro-5-methylphenyl)methanone
CID 124576168
4-(2-ethylpyrrolidine-1-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 54885605
5-(2-ethylpyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 21062091
5-[(2S)-2-ethylpyrrolidine-1-carbonyl]pyridine-3-carboxylic acid
CID 58714763
(2-ethylpyrrolidin-1-yl)-phenylmethanone
CID 20577009
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-ethylpyrrolidine-1-carbonyl]-5-methylbenzamide?
The IUPAC name of 3-[(2S)-2-ethylpyrrolidine-1-carbonyl]-5-methylbenzamide (CID 142673349) is 3-[(2S)-2-ethylpyrrolidine-1-carbonyl]-5-methylbenzamide.
What is the SMILES notation for 3-[(2S)-2-ethylpyrrolidine-1-carbonyl]-5-methylbenzamide?
The canonical SMILES for 3-[(2S)-2-ethylpyrrolidine-1-carbonyl]-5-methylbenzamide is CC[C@H]1CCCN1C(=O)c1cc(C)cc(C(N)=O)c1.
What is the InChIKey of 3-[(2S)-2-ethylpyrrolidine-1-carbonyl]-5-methylbenzamide?
The InChIKey is JHLRTIFTZSWWIR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-13-5-4-6-17(13)15(19)12-8-10(2)7-11(9-12)14(16)18/h7-9,13H,3-6H2,1-2H3,(H2,16,18)/t13-/m0/s1.
What are the key properties of 3-[(2S)-2-ethylpyrrolidine-1-carbonyl]-5-methylbenzamide?
3-[(2S)-2-ethylpyrrolidine-1-carbonyl]-5-methylbenzamide has a molecular weight of 260.34 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-ethylpyrrolidine-1-carbonyl]-5-methylbenzamide is sourced from PubChem (CID 142673349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).