3-methyl-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]butanamide

C18H28N2O — CID 35343824

IUPAC3-methyl-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]butanamide
SMILESCc1ccc([C@@H](CNC(=O)CC(C)C)N2CCCC2)cc1
InChIInChI=1S/C18H28N2O/c1-14(2)12-18(21)19-13-17(20-10-4-5-11-20)16-8-6-15(3)7-9-16/h6-9,14,17H,4-5,10-13H2,1-3H3,(H,19,21)/t17-/m1/s1
InChIKeyGGYZCSXWBAKOCB-QGZVFWFLSA-N
MW288.44 g/mol
LogP3.29
Rot. Bonds6

About 3-methyl-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]butanamide

3-methyl-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]butanamide (PubChem CID 35343824) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-methyl-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]butanamide
PubChem CID35343824
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name3-methyl-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]butanamide
SMILESCc1ccc([C@@H](CNC(=O)CC(C)C)N2CCCC2)cc1
InChIInChI=1S/C18H28N2O/c1-14(2)12-18(21)19-13-17(20-10-4-5-11-20)16-8-6-15(3)7-9-16/h6-9,14,17H,4-5,10-13H2,1-3H3,(H,19,21)/t17-/m1/s1
InChIKeyGGYZCSXWBAKOCB-QGZVFWFLSA-N
XLogP3.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]butanamide 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

N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide
CID 43843128
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-4-ylbutanamide
CID 119866502
N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]-2-phenylacetamide
CID 34952082
N-[2-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methylbutanamide
CID 112505175
2-(cyclopropylmethylamino)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 119866490
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenoxyacetamide
CID 35181296
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35180369
N-[(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-phenoxyacetamide
CID 35126659
N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]-2-phenoxyacetamide
CID 17012003
3-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide
CID 119829578
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 94819247
2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 110622231

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]butanamide?
The IUPAC name of 3-methyl-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]butanamide (CID 35343824) is 3-methyl-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]butanamide.
What is the SMILES notation for 3-methyl-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]butanamide?
The canonical SMILES for 3-methyl-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]butanamide is Cc1ccc([C@@H](CNC(=O)CC(C)C)N2CCCC2)cc1.
What is the InChIKey of 3-methyl-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]butanamide?
The InChIKey is GGYZCSXWBAKOCB-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14(2)12-18(21)19-13-17(20-10-4-5-11-20)16-8-6-15(3)7-9-16/h6-9,14,17H,4-5,10-13H2,1-3H3,(H,19,21)/t17-/m1/s1.
What are the key properties of 3-methyl-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]butanamide?
3-methyl-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]butanamide has a molecular weight of 288.44 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]butanamide is sourced from PubChem (CID 35343824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).