(2S)-2-(2,5-dimethylphenoxy)-N-[3-(3-methylphenyl)propyl]butanamide

C22H29NO2 — CID 92673118

IUPAC(2S)-2-(2,5-dimethylphenoxy)-N-[3-(3-methylphenyl)propyl]butanamide
SMILESCC[C@H](Oc1cc(C)ccc1C)C(=O)NCCCc1cccc(C)c1
InChIInChI=1S/C22H29NO2/c1-5-20(25-21-15-17(3)11-12-18(21)4)22(24)23-13-7-10-19-9-6-8-16(2)14-19/h6,8-9,11-12,14-15,20H,5,7,10,13H2,1-4H3,(H,23,24)/t20-/m0/s1
InChIKeyTXXWMHPBBOEPKR-FQEVSTJZSA-N
MW339.48 g/mol
LogP4.52
Rot. Bonds8

About (2S)-2-(2,5-dimethylphenoxy)-N-[3-(3-methylphenyl)propyl]butanamide

(2S)-2-(2,5-dimethylphenoxy)-N-[3-(3-methylphenyl)propyl]butanamide (PubChem CID 92673118) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is (2S)-2-(2,5-dimethylphenoxy)-N-[3-(3-methylphenyl)propyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(2,5-dimethylphenoxy)-N-[3-(3-methylphenyl)propyl]butanamide
PubChem CID92673118
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name(2S)-2-(2,5-dimethylphenoxy)-N-[3-(3-methylphenyl)propyl]butanamide
SMILESCC[C@H](Oc1cc(C)ccc1C)C(=O)NCCCc1cccc(C)c1
InChIInChI=1S/C22H29NO2/c1-5-20(25-21-15-17(3)11-12-18(21)4)22(24)23-13-7-10-19-9-6-8-16(2)14-19/h6,8-9,11-12,14-15,20H,5,7,10,13H2,1-4H3,(H,23,24)/t20-/m0/s1
InChIKeyTXXWMHPBBOEPKR-FQEVSTJZSA-N
XLogP4.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-2-(2,5-dimethylphenoxy)-N-[3-(3-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

(2S)-2-(2,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]butanamide
CID 92682902
2-(3,5-dimethylphenoxy)-N-[3-(3-methylphenyl)propyl]butanamide
CID 132652025
N-[3-(3-methylphenyl)propyl]-2-naphthalen-2-yloxybutanamide
CID 46764115
(2S)-2-(3-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide
CID 92681450
(2R)-2-(2-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide
CID 93487721
(2S)-2-(2,3-dimethylphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide
CID 30381733
2-(2,5-dimethylphenoxy)-N-(2-methylpropyl)butanamide
CID 53284304
(2R)-2-(2,5-dimethylphenoxy)-N-(3-methylphenyl)butanamide
CID 93488050
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,5-dimethylphenoxy)butanamide
CID 43916329
(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[3-(3-methylphenyl)propyl]butanamide
CID 100641683
2-(2,5-dimethylphenoxy)butanehydrazide
CID 54792983
(2R)-2-(2,5-dimethylphenoxy)-N-(3-pyrrolidin-1-ylpropyl)butanamide
CID 30386789

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,5-dimethylphenoxy)-N-[3-(3-methylphenyl)propyl]butanamide?
The IUPAC name of (2S)-2-(2,5-dimethylphenoxy)-N-[3-(3-methylphenyl)propyl]butanamide (CID 92673118) is (2S)-2-(2,5-dimethylphenoxy)-N-[3-(3-methylphenyl)propyl]butanamide.
What is the SMILES notation for (2S)-2-(2,5-dimethylphenoxy)-N-[3-(3-methylphenyl)propyl]butanamide?
The canonical SMILES for (2S)-2-(2,5-dimethylphenoxy)-N-[3-(3-methylphenyl)propyl]butanamide is CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCCc1cccc(C)c1.
What is the InChIKey of (2S)-2-(2,5-dimethylphenoxy)-N-[3-(3-methylphenyl)propyl]butanamide?
The InChIKey is TXXWMHPBBOEPKR-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H29NO2/c1-5-20(25-21-15-17(3)11-12-18(21)4)22(24)23-13-7-10-19-9-6-8-16(2)14-19/h6,8-9,11-12,14-15,20H,5,7,10,13H2,1-4H3,(H,23,24)/t20-/m0/s1.
What are the key properties of (2S)-2-(2,5-dimethylphenoxy)-N-[3-(3-methylphenyl)propyl]butanamide?
(2S)-2-(2,5-dimethylphenoxy)-N-[3-(3-methylphenyl)propyl]butanamide has a molecular weight of 339.48 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,5-dimethylphenoxy)-N-[3-(3-methylphenyl)propyl]butanamide is sourced from PubChem (CID 92673118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).