(2S)-N-[1-(2,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxamide

C15H22N2O — CID 61180295

IUPAC(2S)-N-[1-(2,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(C)c(C(C)NC(=O)[C@@H]2CCCN2)c1
InChIInChI=1S/C15H22N2O/c1-10-6-7-11(2)13(9-10)12(3)17-15(18)14-5-4-8-16-14/h6-7,9,12,14,16H,4-5,8H2,1-3H3,(H,17,18)/t12?,14-/m0/s1
InChIKeyULQMMAAUVGWBSI-PYMCNQPYSA-N
MW246.35 g/mol
LogP2.23
Rot. Bonds3

About (2S)-N-[1-(2,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxamide

(2S)-N-[1-(2,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 61180295) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (2S)-N-[1-(2,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[1-(2,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxamide
PubChem CID61180295
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(2S)-N-[1-(2,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(C)c(C(C)NC(=O)[C@@H]2CCCN2)c1
InChIInChI=1S/C15H22N2O/c1-10-6-7-11(2)13(9-10)12(3)17-15(18)14-5-4-8-16-14/h6-7,9,12,14,16H,4-5,8H2,1-3H3,(H,17,18)/t12?,14-/m0/s1
InChIKeyULQMMAAUVGWBSI-PYMCNQPYSA-N
XLogP2.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[1-(2,4-dimethylphenyl)ethyl]piperidine-2-carboxamide
CID 103808925
(2S)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119273007
N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81355839
(2S)-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81356074
(2S)-N-[(1R)-1-(3-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81360819
N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-2-carboxamide
CID 81355602
cis-(1S,2R)-2-[[(1R)-1-(2,5-dimethylphenyl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 11922211
(2R)-N-[1-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 103794027
(2S)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81387712
trans-(1S,2S)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 11922406
N-[1-(2,5-dimethylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 6469818
N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-2-carboxamide;hydrochloride
CID 119321004

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-(2,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[1-(2,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxamide (CID 61180295) is (2S)-N-[1-(2,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[1-(2,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[1-(2,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxamide is Cc1ccc(C)c(C(C)NC(=O)[C@@H]2CCCN2)c1.
What is the InChIKey of (2S)-N-[1-(2,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is ULQMMAAUVGWBSI-PYMCNQPYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10-6-7-11(2)13(9-10)12(3)17-15(18)14-5-4-8-16-14/h6-7,9,12,14,16H,4-5,8H2,1-3H3,(H,17,18)/t12?,14-/m0/s1.
What are the key properties of (2S)-N-[1-(2,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxamide?
(2S)-N-[1-(2,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-(2,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 61180295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).