(2S)-2-(3-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide

C21H27NO2 — CID 92681450

IUPAC(2S)-2-(3-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide
SMILESCC[C@H](Oc1cccc(C)c1)C(=O)NCCCc1ccc(C)cc1
InChIInChI=1S/C21H27NO2/c1-4-20(24-19-9-5-7-17(3)15-19)21(23)22-14-6-8-18-12-10-16(2)11-13-18/h5,7,9-13,15,20H,4,6,8,14H2,1-3H3,(H,22,23)/t20-/m0/s1
InChIKeyGXPRCYBHHANCFO-FQEVSTJZSA-N
MW325.45 g/mol
LogP4.21
Rot. Bonds8

About (2S)-2-(3-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide

(2S)-2-(3-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide (PubChem CID 92681450) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is (2S)-2-(3-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(3-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide
PubChem CID92681450
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name(2S)-2-(3-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide
SMILESCC[C@H](Oc1cccc(C)c1)C(=O)NCCCc1ccc(C)cc1
InChIInChI=1S/C21H27NO2/c1-4-20(24-19-9-5-7-17(3)15-19)21(23)22-14-6-8-18-12-10-16(2)11-13-18/h5,7,9-13,15,20H,4,6,8,14H2,1-3H3,(H,22,23)/t20-/m0/s1
InChIKeyGXPRCYBHHANCFO-FQEVSTJZSA-N
XLogP4.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-2-(3-methylphenoxy)-N-[3-(4-methylphenyl)propyl]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

2-(3,5-dimethylphenoxy)-N-[3-(3-methylphenyl)propyl]butanamide
CID 132652025
N-[2-(4-aminophenyl)ethyl]-2-(3-methylphenoxy)butanamide;hydrochloride
CID 119549172
(2R)-N-[3-(4-ethoxy-3-methoxyphenyl)propyl]-2-(3-methylphenoxy)butanamide
CID 28631512
N-[3-(4-ethoxyphenyl)propyl]-2-(4-methylphenoxy)butanamide
CID 132653717
N-[3-(3-methylphenyl)propyl]-2-naphthalen-2-yloxybutanamide
CID 46764115
2-(3,5-dimethylphenoxy)-N-[3-(4-propan-2-ylphenyl)propyl]butanamide
CID 132655072
(2S)-2-(2,5-dimethylphenoxy)-N-[3-(3-methylphenyl)propyl]butanamide
CID 92673118
2-(4-methylphenoxy)-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 133211130
(2R)-2-(2-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide
CID 93487721
6-[2-(3-methylphenoxy)butanoylamino]hexanoic acid
CID 119352114
N-(3-methylbutyl)-2-(3-methylphenoxy)butanamide
CID 46764187
2-(3-methylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]butanamide
CID 43905864

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide?
The IUPAC name of (2S)-2-(3-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide (CID 92681450) is (2S)-2-(3-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide.
What is the SMILES notation for (2S)-2-(3-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide?
The canonical SMILES for (2S)-2-(3-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide is CC[C@H](Oc1cccc(C)c1)C(=O)NCCCc1ccc(C)cc1.
What is the InChIKey of (2S)-2-(3-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide?
The InChIKey is GXPRCYBHHANCFO-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H27NO2/c1-4-20(24-19-9-5-7-17(3)15-19)21(23)22-14-6-8-18-12-10-16(2)11-13-18/h5,7,9-13,15,20H,4,6,8,14H2,1-3H3,(H,22,23)/t20-/m0/s1.
What are the key properties of (2S)-2-(3-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide?
(2S)-2-(3-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide has a molecular weight of 325.45 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide is sourced from PubChem (CID 92681450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).