2-(4-methylphenoxy)-N-[2-(3-methylphenoxy)ethyl]butanamide

C20H25NO3 — CID 133211130

IUPAC2-(4-methylphenoxy)-N-[2-(3-methylphenoxy)ethyl]butanamide
SMILESCCC(Oc1ccc(C)cc1)C(=O)NCCOc1cccc(C)c1
InChIInChI=1S/C20H25NO3/c1-4-19(24-17-10-8-15(2)9-11-17)20(22)21-12-13-23-18-7-5-6-16(3)14-18/h5-11,14,19H,4,12-13H2,1-3H3,(H,21,22)
InChIKeyRWNZYOJHWPQGRI-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.66
Rot. Bonds8

About 2-(4-methylphenoxy)-N-[2-(3-methylphenoxy)ethyl]butanamide

2-(4-methylphenoxy)-N-[2-(3-methylphenoxy)ethyl]butanamide (PubChem CID 133211130) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[2-(3-methylphenoxy)ethyl]butanamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[2-(3-methylphenoxy)ethyl]butanamide
PubChem CID133211130
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name2-(4-methylphenoxy)-N-[2-(3-methylphenoxy)ethyl]butanamide
SMILESCCC(Oc1ccc(C)cc1)C(=O)NCCOc1cccc(C)c1
InChIInChI=1S/C20H25NO3/c1-4-19(24-17-10-8-15(2)9-11-17)20(22)21-12-13-23-18-7-5-6-16(3)14-18/h5-11,14,19H,4,12-13H2,1-3H3,(H,21,22)
InChIKeyRWNZYOJHWPQGRI-UHFFFAOYSA-N
XLogP3.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-methylphenoxy)-N-[2-(3-methylphenoxy)ethyl]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

(2R)-N-[2-(3-methylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100547724
N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-2-(3-methylphenoxy)butanamide
CID 133240484
2-(3-methylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]butanamide
CID 43905864
N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methylphenoxy)butanamide
CID 133211143
(2S)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)butanoyl]amino]ethyl]butanamide
CID 40796762
2-(3,5-dimethylphenoxy)-N-(2-naphthalen-2-yloxyethyl)butanamide
CID 133252076
(2S)-2-(3-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide
CID 92681450
2-(2,4-dimethylphenoxy)-N-[2-(4-methylphenoxy)ethyl]butanamide
CID 132652207
2-(3,4-dimethylphenoxy)-N-(2-phenoxyethyl)butanamide
CID 133240011
N-(3-methylbutyl)-2-(3-methylphenoxy)butanamide
CID 46764187
2-(3-methylphenoxy)-N-(4-propoxyphenyl)butanamide
CID 4943144
6-[2-(3-methylphenoxy)butanoylamino]hexanoic acid
CID 119352114

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[2-(3-methylphenoxy)ethyl]butanamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[2-(3-methylphenoxy)ethyl]butanamide (CID 133211130) is 2-(4-methylphenoxy)-N-[2-(3-methylphenoxy)ethyl]butanamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[2-(3-methylphenoxy)ethyl]butanamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[2-(3-methylphenoxy)ethyl]butanamide is CCC(Oc1ccc(C)cc1)C(=O)NCCOc1cccc(C)c1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[2-(3-methylphenoxy)ethyl]butanamide?
The InChIKey is RWNZYOJHWPQGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-4-19(24-17-10-8-15(2)9-11-17)20(22)21-12-13-23-18-7-5-6-16(3)14-18/h5-11,14,19H,4,12-13H2,1-3H3,(H,21,22).
What are the key properties of 2-(4-methylphenoxy)-N-[2-(3-methylphenoxy)ethyl]butanamide?
2-(4-methylphenoxy)-N-[2-(3-methylphenoxy)ethyl]butanamide has a molecular weight of 327.42 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[2-(3-methylphenoxy)ethyl]butanamide is sourced from PubChem (CID 133211130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).