(2S)-N-[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]pyrrolidine-2-carboxamide

C16H24N2O — CID 96510056

IUPAC(2S)-N-[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]pyrrolidine-2-carboxamide
SMILESCc1cc(C)cc(C[C@@H](C)NC(=O)[C@@H]2CCCN2)c1
InChIInChI=1S/C16H24N2O/c1-11-7-12(2)9-14(8-11)10-13(3)18-16(19)15-5-4-6-17-15/h7-9,13,15,17H,4-6,10H2,1-3H3,(H,18,19)/t13-,15+/m1/s1
InChIKeyFKLGEUVURVZTDN-HIFRSBDPSA-N
MW260.38 g/mol
LogP2.10
Rot. Bonds4

About (2S)-N-[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]pyrrolidine-2-carboxamide

(2S)-N-[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]pyrrolidine-2-carboxamide (PubChem CID 96510056) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (2S)-N-[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]pyrrolidine-2-carboxamide
PubChem CID96510056
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(2S)-N-[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]pyrrolidine-2-carboxamide
SMILESCc1cc(C)cc(C[C@@H](C)NC(=O)[C@@H]2CCCN2)c1
InChIInChI=1S/C16H24N2O/c1-11-7-12(2)9-14(8-11)10-13(3)18-16(19)15-5-4-6-17-15/h7-9,13,15,17H,4-6,10H2,1-3H3,(H,18,19)/t13-,15+/m1/s1
InChIKeyFKLGEUVURVZTDN-HIFRSBDPSA-N
XLogP2.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-bromophenyl)propan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 119295645
N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrrolidine-2-carboxamide
CID 119294903
N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-2-carboxamide;hydrochloride
CID 119321004
N-[1-(3-bromophenyl)propan-2-yl]piperidine-2-carboxamide
CID 119298778
N-[2-(3,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 83632123
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]piperidine-2-carboxamide
CID 119319806
N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]piperidine-2-carboxamide
CID 119341100
(2R,3S)-N-[1-(3,5-dimethylphenyl)propan-2-yl]-2-methylmorpholine-3-carboxamide
CID 120935470
(2S)-N-(1-thiophen-2-ylpropan-2-yl)pyrrolidine-2-carboxamide
CID 61178552
(2R)-N-[(2S)-1-aminopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 130736371
(2S)-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119330672
N-[1-(2,4-dichlorophenyl)propan-2-yl]piperidine-2-carboxamide
CID 119308681

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]pyrrolidine-2-carboxamide (CID 96510056) is (2S)-N-[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]pyrrolidine-2-carboxamide is Cc1cc(C)cc(C[C@@H](C)NC(=O)[C@@H]2CCCN2)c1.
What is the InChIKey of (2S)-N-[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is FKLGEUVURVZTDN-HIFRSBDPSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11-7-12(2)9-14(8-11)10-13(3)18-16(19)15-5-4-6-17-15/h7-9,13,15,17H,4-6,10H2,1-3H3,(H,18,19)/t13-,15+/m1/s1.
What are the key properties of (2S)-N-[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]pyrrolidine-2-carboxamide?
(2S)-N-[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 96510056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).