3-methyl-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide

C14H20N2O — CID 78952958

IUPAC3-methyl-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
SMILESC[C@H](NC(=O)C1(C)CCNC1)c1ccccc1
InChIInChI=1S/C14H20N2O/c1-11(12-6-4-3-5-7-12)16-13(17)14(2)8-9-15-10-14/h3-7,11,15H,8-10H2,1-2H3,(H,16,17)/t11-,14?/m0/s1
InChIKeyCKLQKNHNBRBOEX-ZSOXZCCMSA-N
MW232.33 g/mol
LogP1.86
Rot. Bonds3

About 3-methyl-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide

3-methyl-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide (PubChem CID 78952958) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-methyl-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
PubChem CID78952958
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-methyl-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
SMILESC[C@H](NC(=O)C1(C)CCNC1)c1ccccc1
InChIInChI=1S/C14H20N2O/c1-11(12-6-4-3-5-7-12)16-13(17)14(2)8-9-15-10-14/h3-7,11,15H,8-10H2,1-2H3,(H,16,17)/t11-,14?/m0/s1
InChIKeyCKLQKNHNBRBOEX-ZSOXZCCMSA-N
XLogP1.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxamide
CID 81373361
N-(1-phenylethyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979455
3-methyl-N-[1-(3-nitrophenyl)ethyl]pyrrolidine-3-carboxamide
CID 63139771
3-methyl-N-(1-phenylbutyl)pyrrolidine-3-carboxamide
CID 63139520
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119720011
3-[(3-methylpyrrolidine-3-carbonyl)amino]-2-phenylpropanoic acid
CID 63142311
3-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrrolidine-3-carboxamide
CID 55165528
N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylpyrrolidine-3-carboxamide
CID 63261449
3-methyl-N-(3-methyl-1-phenylbutyl)piperidine-3-carboxamide
CID 63131193
N-[1-(3-acetamidophenyl)ethyl]-3-methylpiperidine-3-carboxamide
CID 119944327
3-ethyl-N-(1-phenylethyl)piperidine-3-carboxamide
CID 63132202
N-[1-(3,4-dichlorophenyl)ethyl]-4-methylpiperidine-4-carboxamide
CID 63122554

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 3-methyl-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide (CID 78952958) is 3-methyl-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide is C[C@H](NC(=O)C1(C)CCNC1)c1ccccc1.
What is the InChIKey of 3-methyl-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide?
The InChIKey is CKLQKNHNBRBOEX-ZSOXZCCMSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11(12-6-4-3-5-7-12)16-13(17)14(2)8-9-15-10-14/h3-7,11,15H,8-10H2,1-2H3,(H,16,17)/t11-,14?/m0/s1.
What are the key properties of 3-methyl-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide?
3-methyl-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide has a molecular weight of 232.33 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 78952958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).