2-(3,4-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide

C25H27NO3 — CID 46771146

IUPAC2-(3,4-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide
SMILESCCC(Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H27NO3/c1-4-24(29-23-13-10-18(2)19(3)16-23)25(27)26-21-11-14-22(15-12-21)28-17-20-8-6-5-7-9-20/h5-16,24H,4,17H2,1-3H3,(H,26,27)
InChIKeyARSDEFJNKLDBPK-UHFFFAOYSA-N
MW389.50 g/mol
LogP5.68
Rot. Bonds8

About 2-(3,4-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide

2-(3,4-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide (PubChem CID 46771146) has the molecular formula C25H27NO3 and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide
PubChem CID46771146
Molecular FormulaC25H27NO3
Molecular Weight389.50 g/mol
Exact Mass389.20
IUPAC Name2-(3,4-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide
SMILESCCC(Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H27NO3/c1-4-24(29-23-13-10-18(2)19(3)16-23)25(27)26-21-11-14-22(15-12-21)28-17-20-8-6-5-7-9-20/h5-16,24H,4,17H2,1-3H3,(H,26,27)
InChIKeyARSDEFJNKLDBPK-UHFFFAOYSA-N
XLogP5.68
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3,4-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)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-phenoxy-N-(4-phenylmethoxyphenyl)butanamide
CID 2944488
2-(3,5-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide
CID 132659061
2-(4-ethylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide
CID 132659062
(2S)-2-(3,4-dimethylphenoxy)-N-(4-ethylphenyl)butanamide
CID 99131438
(2S)-2-(3,4-dimethylphenoxy)-N-[4-(phenylsulfanylmethyl)phenyl]butanamide
CID 94019252
(2S)-2-(3,4-dimethylphenoxy)-N-naphthalen-2-ylbutanamide
CID 28636461
N-(4-butylphenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 43907479
(2R)-N-(3,4-difluorophenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 92682069
2-(3,4-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
CID 4947508
(2S)-2-phenoxy-N-[4-(2-phenoxyethoxy)phenyl]butanamide
CID 9296848
2-(3,4-dimethylphenoxy)-N-(3,5-dimethylphenyl)butanamide
CID 53284429
2-phenoxy-N-[4-(2-phenylethoxy)phenyl]butanamide
CID 17066992

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide (CID 46771146) is 2-(3,4-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide is CCC(Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide?
The InChIKey is ARSDEFJNKLDBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO3/c1-4-24(29-23-13-10-18(2)19(3)16-23)25(27)26-21-11-14-22(15-12-21)28-17-20-8-6-5-7-9-20/h5-16,24H,4,17H2,1-3H3,(H,26,27).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide?
2-(3,4-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide has a molecular weight of 389.50 g/mol, XLogP of 5.68, 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-phenylmethoxyphenyl)butanamide is sourced from PubChem (CID 46771146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).