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

C20H25NO2 — CID 14211244

IUPAC2-(2,4-dimethylphenoxy)-N-[(2-methylphenyl)methyl]butanamide
SMILESCCC(Oc1ccc(C)cc1C)C(=O)NCc1ccccc1C
InChIInChI=1S/C20H25NO2/c1-5-18(23-19-11-10-14(2)12-16(19)4)20(22)21-13-17-9-7-6-8-15(17)3/h6-12,18H,5,13H2,1-4H3,(H,21,22)
InChIKeyOYMIVMCWXJCVQP-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.09
Rot. Bonds6

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

2-(2,4-dimethylphenoxy)-N-[(2-methylphenyl)methyl]butanamide (PubChem CID 14211244) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-[(2-methylphenyl)methyl]butanamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-[(2-methylphenyl)methyl]butanamide
PubChem CID14211244
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name2-(2,4-dimethylphenoxy)-N-[(2-methylphenyl)methyl]butanamide
SMILESCCC(Oc1ccc(C)cc1C)C(=O)NCc1ccccc1C
InChIInChI=1S/C20H25NO2/c1-5-18(23-19-11-10-14(2)12-16(19)4)20(22)21-13-17-9-7-6-8-15(17)3/h6-12,18H,5,13H2,1-4H3,(H,21,22)
InChIKeyOYMIVMCWXJCVQP-UHFFFAOYSA-N
XLogP4.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dimethylphenoxy)-N-ethylbutanamide
CID 53289122
2-(2,4-dimethylphenoxy)-N-propylbutanamide
CID 20682013
(2S)-2-(3,4-dimethylphenoxy)-N-[(2-methylphenyl)methyl]butanamide
CID 94016048
2-(2,4-dimethylphenoxy)-N-(2,6-dimethylphenyl)butanamide
CID 53288935
N-[(2-ethoxyphenyl)methyl]-2-(2-methylphenoxy)butanamide
CID 53284919
(2S)-N-[(2-ethoxyphenyl)methyl]-2-(2-methylphenoxy)butanamide
CID 92682211
2-(2,4-dimethylphenoxy)-N-propan-2-ylbutanamide
CID 53289143
2-(2,4-dimethylphenoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]butanamide
CID 132656452
2-(2,4-dimethylphenoxy)-N-[2-(4-methylphenoxy)ethyl]butanamide
CID 132652207
(2R)-2-(2,4-dimethylphenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 99133066
2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)butanamide
CID 53288910
N-tert-butyl-2-(2,4-dimethylphenoxy)butanamide
CID 53289145

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-[(2-methylphenyl)methyl]butanamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-[(2-methylphenyl)methyl]butanamide (CID 14211244) is 2-(2,4-dimethylphenoxy)-N-[(2-methylphenyl)methyl]butanamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-[(2-methylphenyl)methyl]butanamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-[(2-methylphenyl)methyl]butanamide is CCC(Oc1ccc(C)cc1C)C(=O)NCc1ccccc1C.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-[(2-methylphenyl)methyl]butanamide?
The InChIKey is OYMIVMCWXJCVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-5-18(23-19-11-10-14(2)12-16(19)4)20(22)21-13-17-9-7-6-8-15(17)3/h6-12,18H,5,13H2,1-4H3,(H,21,22).
What are the key properties of 2-(2,4-dimethylphenoxy)-N-[(2-methylphenyl)methyl]butanamide?
2-(2,4-dimethylphenoxy)-N-[(2-methylphenyl)methyl]butanamide has a molecular weight of 311.43 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-[(2-methylphenyl)methyl]butanamide is sourced from PubChem (CID 14211244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).