2-(3,4-dimethylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide

C21H27NO3 — CID 53284415

IUPAC2-(3,4-dimethylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide
SMILESCCOc1ccc(CNC(=O)C(CC)Oc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C21H27NO3/c1-5-20(25-19-10-7-15(3)16(4)13-19)21(23)22-14-17-8-11-18(12-9-17)24-6-2/h7-13,20H,5-6,14H2,1-4H3,(H,22,23)
InChIKeyMVLLYXZMPQRZKH-UHFFFAOYSA-N
MW341.45 g/mol
LogP4.18
Rot. Bonds8

About 2-(3,4-dimethylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide

2-(3,4-dimethylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide (PubChem CID 53284415) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide
PubChem CID53284415
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name2-(3,4-dimethylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide
SMILESCCOc1ccc(CNC(=O)C(CC)Oc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C21H27NO3/c1-5-20(25-19-10-7-15(3)16(4)13-19)21(23)22-14-17-8-11-18(12-9-17)24-6-2/h7-13,20H,5-6,14H2,1-4H3,(H,22,23)
InChIKeyMVLLYXZMPQRZKH-UHFFFAOYSA-N
XLogP4.18
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3,4-dimethylphenoxy)-N-[(4-ethoxyphenyl)methyl]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-(4-chloro-3-methylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 53289034
(2S)-2-(4-chloro-3-methylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 99133193
N-[(3,4-diethoxyphenyl)methyl]-2-(3,4-dimethylphenoxy)butanamide
CID 43876756
N-[(4-ethoxyphenyl)methyl]-2-(4-ethylphenoxy)butanamide
CID 53288894
N-[[4-(dimethylamino)phenyl]methyl]-2-(3,4-dimethylphenoxy)butanamide
CID 53284316
(2S)-2-(3,4-dimethylphenoxy)-N-(pyridin-4-ylmethyl)butanamide
CID 94019548
(2R)-2-(3,4-dimethylphenoxy)-N-[(3-methylphenyl)methyl]butanamide
CID 94019474
2-(3,4-dimethylphenoxy)-N-ethylbutanamide
CID 43916377
2-(2,3-dimethylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 46778407
(2S)-2-(3,4-dimethylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide
CID 94015557
(2S)-2-(3,4-dimethylphenoxy)-N-[(2-methylphenyl)methyl]butanamide
CID 94016048
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(3,4-dimethylphenoxy)butanamide
CID 92676118

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide (CID 53284415) is 2-(3,4-dimethylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide is CCOc1ccc(CNC(=O)C(CC)Oc2ccc(C)c(C)c2)cc1.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide?
The InChIKey is MVLLYXZMPQRZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-5-20(25-19-10-7-15(3)16(4)13-19)21(23)22-14-17-8-11-18(12-9-17)24-6-2/h7-13,20H,5-6,14H2,1-4H3,(H,22,23).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide?
2-(3,4-dimethylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide has a molecular weight of 341.45 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide is sourced from PubChem (CID 53284415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).