(2S)-N-[(4-ethylphenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride

C15H23ClN2O — CID 119266906

IUPAC(2S)-N-[(4-ethylphenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
SMILESCCc1ccc(CN(C)C(=O)[C@@H]2CCCN2)cc1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-3-12-6-8-13(9-7-12)11-17(2)15(18)14-5-4-10-16-14;/h6-9,14,16H,3-5,10-11H2,1-2H3;1H/t14-;/m0./s1
InChIKeyGZRWZLNOJCUBGV-UQKRIMTDSA-N
MW282.82 g/mol
LogP2.38
Rot. Bonds4

About (2S)-N-[(4-ethylphenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride

(2S)-N-[(4-ethylphenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119266906) has the molecular formula C15H23ClN2O and a molecular weight of 282.82 g/mol. Its IUPAC name is (2S)-N-[(4-ethylphenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-[(4-ethylphenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
PubChem CID119266906
Molecular FormulaC15H23ClN2O
Molecular Weight282.82 g/mol
Exact Mass282.15
IUPAC Name(2S)-N-[(4-ethylphenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
SMILESCCc1ccc(CN(C)C(=O)[C@@H]2CCCN2)cc1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-3-12-6-8-13(9-7-12)11-17(2)15(18)14-5-4-10-16-14;/h6-9,14,16H,3-5,10-11H2,1-2H3;1H/t14-;/m0./s1
InChIKeyGZRWZLNOJCUBGV-UQKRIMTDSA-N
XLogP2.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-benzyl-N-methylpyrrolidine-2-carboxamide
CID 22691346
(2S)-N-methyl-N-[(4-methylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119681881
(2S)-N-[(4-bromophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119682587
N-[(4-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 54944765
(2R)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide
CID 93367508
(2R)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119694200
(2R)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 103793972
N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 60717507
(2S)-N-[(3,4-difluorophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119717254
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119272234
N-[(4-ethylphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 61370210
(2S)-N-methyl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 61155587

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-ethylphenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-[(4-ethylphenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride (CID 119266906) is (2S)-N-[(4-ethylphenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-[(4-ethylphenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-[(4-ethylphenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride is CCc1ccc(CN(C)C(=O)[C@@H]2CCCN2)cc1.Cl.
What is the InChIKey of (2S)-N-[(4-ethylphenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is GZRWZLNOJCUBGV-UQKRIMTDSA-N. The full InChI is InChI=1S/C15H22N2O.ClH/c1-3-12-6-8-13(9-7-12)11-17(2)15(18)14-5-4-10-16-14;/h6-9,14,16H,3-5,10-11H2,1-2H3;1H/t14-;/m0./s1.
What are the key properties of (2S)-N-[(4-ethylphenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride?
(2S)-N-[(4-ethylphenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 282.82 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-ethylphenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119266906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).