2-(3-methylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide

C21H27NO3 — CID 43904963

IUPAC2-(3-methylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
SMILESCCC(Oc1cccc(C)c1)C(=O)NCc1cccc(OC(C)C)c1
InChIInChI=1S/C21H27NO3/c1-5-20(25-18-10-6-8-16(4)12-18)21(23)22-14-17-9-7-11-19(13-17)24-15(2)3/h6-13,15,20H,5,14H2,1-4H3,(H,22,23)
InChIKeyAXUAKUVUTYIXQS-UHFFFAOYSA-N
MW341.45 g/mol
LogP4.26
Rot. Bonds8

About 2-(3-methylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide

2-(3-methylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide (PubChem CID 43904963) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
PubChem CID43904963
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name2-(3-methylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
SMILESCCC(Oc1cccc(C)c1)C(=O)NCc1cccc(OC(C)C)c1
InChIInChI=1S/C21H27NO3/c1-5-20(25-18-10-6-8-16(4)12-18)21(23)22-14-17-9-7-11-19(13-17)24-15(2)3/h6-13,15,20H,5,14H2,1-4H3,(H,22,23)
InChIKeyAXUAKUVUTYIXQS-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-methylphenoxy)-N-[(3-propan-2-yloxyphenyl)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

(2R)-2-(3,5-dimethylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 99133296
2-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 53288701
(2S)-2-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 99132965
2-(3,5-dimethylphenoxy)-N-[(3-ethoxyphenyl)methyl]butanamide
CID 53288985
(2S)-N-[(4-fluorophenyl)methyl]-2-(3-methylphenoxy)butanamide
CID 99131487
(2R)-2-(3,4-dimethylphenoxy)-N-[(3-methylphenyl)methyl]butanamide
CID 94019474
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylphenoxy)butanamide
CID 46769433
2-(3-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]butanamide
CID 53284474
(2S)-2-(2-fluorophenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 99132312
2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
CID 43911069
N-(3-methylbutyl)-2-(3-methylphenoxy)butanamide
CID 46764187
N-[(2,5-diethylphenyl)methyl]-2-(3-methylphenoxy)butanamide
CID 133162435

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide (CID 43904963) is 2-(3-methylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide is CCC(Oc1cccc(C)c1)C(=O)NCc1cccc(OC(C)C)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide?
The InChIKey is AXUAKUVUTYIXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-5-20(25-18-10-6-8-16(4)12-18)21(23)22-14-17-9-7-11-19(13-17)24-15(2)3/h6-13,15,20H,5,14H2,1-4H3,(H,22,23).
What are the key properties of 2-(3-methylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide?
2-(3-methylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide has a molecular weight of 341.45 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide is sourced from PubChem (CID 43904963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).