(2S,4S)-N-ethyl-2-methyl-4-phenylpyrrolidine-1-carboxamide

C14H20N2O — CID 101423033

IUPAC(2S,4S)-N-ethyl-2-methyl-4-phenylpyrrolidine-1-carboxamide
SMILESCCNC(=O)N1C[C@H](c2ccccc2)C[C@@H]1C
InChIInChI=1S/C14H20N2O/c1-3-15-14(17)16-10-13(9-11(16)2)12-7-5-4-6-8-12/h4-8,11,13H,3,9-10H2,1-2H3,(H,15,17)/t11-,13+/m0/s1
InChIKeyWOFHUIHYFNTOCC-WCQYABFASA-N
MW232.33 g/mol
LogP2.59
Rot. Bonds2

About (2S,4S)-N-ethyl-2-methyl-4-phenylpyrrolidine-1-carboxamide

(2S,4S)-N-ethyl-2-methyl-4-phenylpyrrolidine-1-carboxamide (PubChem CID 101423033) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (2S,4S)-N-ethyl-2-methyl-4-phenylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-ethyl-2-methyl-4-phenylpyrrolidine-1-carboxamide
PubChem CID101423033
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(2S,4S)-N-ethyl-2-methyl-4-phenylpyrrolidine-1-carboxamide
SMILESCCNC(=O)N1C[C@H](c2ccccc2)C[C@@H]1C
InChIInChI=1S/C14H20N2O/c1-3-15-14(17)16-10-13(9-11(16)2)12-7-5-4-6-8-12/h4-8,11,13H,3,9-10H2,1-2H3,(H,15,17)/t11-,13+/m0/s1
InChIKeyWOFHUIHYFNTOCC-WCQYABFASA-N
XLogP2.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S,4S)-N-ethyl-2-methyl-4-phenylpyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[(2-methyl-4-phenylpyrrolidine-1-carbonyl)amino]methyl]benzoic acid
CID 122021125
1-(2-methyl-4-phenylpyrrolidin-1-yl)ethanone
CID 15365754
1-N,3-N-diethyl-5-phenylpiperidine-1,3-dicarboxamide
CID 42865414
4-amino-1-(2-methyl-4-phenylpyrrolidin-1-yl)butan-1-one
CID 119327765
2-(2-methyl-4-phenylpyrrolidin-1-yl)acetic acid
CID 119135565
(1-aminocyclopropyl)-(2-methyl-4-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 119790908
4-(2-methyl-4-phenylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 120674509
3-N-cyclopropyl-1-N-ethyl-5-phenylpiperidine-1,3-dicarboxamide
CID 42865415
N-(3-carbamoyl-4-methylphenyl)-2-methyl-4-phenylpyrrolidine-1-carboxamide
CID 154860890
1-(2-methyl-4-phenylpyrrolidin-1-yl)-2-pyrrolidin-2-ylethanone
CID 119790957
(2-methyl-4-phenylpyrrolidin-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120633950
(2S)-4-cyclopropyl-N-ethyl-2-phenylpiperazine-1-carboxamide
CID 97040903

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-ethyl-2-methyl-4-phenylpyrrolidine-1-carboxamide?
The IUPAC name of (2S,4S)-N-ethyl-2-methyl-4-phenylpyrrolidine-1-carboxamide (CID 101423033) is (2S,4S)-N-ethyl-2-methyl-4-phenylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2S,4S)-N-ethyl-2-methyl-4-phenylpyrrolidine-1-carboxamide?
The canonical SMILES for (2S,4S)-N-ethyl-2-methyl-4-phenylpyrrolidine-1-carboxamide is CCNC(=O)N1C[C@H](c2ccccc2)C[C@@H]1C.
What is the InChIKey of (2S,4S)-N-ethyl-2-methyl-4-phenylpyrrolidine-1-carboxamide?
The InChIKey is WOFHUIHYFNTOCC-WCQYABFASA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-15-14(17)16-10-13(9-11(16)2)12-7-5-4-6-8-12/h4-8,11,13H,3,9-10H2,1-2H3,(H,15,17)/t11-,13+/m0/s1.
What are the key properties of (2S,4S)-N-ethyl-2-methyl-4-phenylpyrrolidine-1-carboxamide?
(2S,4S)-N-ethyl-2-methyl-4-phenylpyrrolidine-1-carboxamide has a molecular weight of 232.33 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-ethyl-2-methyl-4-phenylpyrrolidine-1-carboxamide is sourced from PubChem (CID 101423033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).