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

C20H25NO2 — CID 43916757

IUPAC2-(3,4-dimethylphenoxy)-N-(2,3-dimethylphenyl)butanamide
SMILESCCC(Oc1ccc(C)c(C)c1)C(=O)Nc1cccc(C)c1C
InChIInChI=1S/C20H25NO2/c1-6-19(23-17-11-10-13(2)15(4)12-17)20(22)21-18-9-7-8-14(3)16(18)5/h7-12,19H,6H2,1-5H3,(H,21,22)
InChIKeyOFPWGYZKIQTRIN-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.72
Rot. Bonds5

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

2-(3,4-dimethylphenoxy)-N-(2,3-dimethylphenyl)butanamide (PubChem CID 43916757) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-(2,3-dimethylphenyl)butanamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-(2,3-dimethylphenyl)butanamide
PubChem CID43916757
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name2-(3,4-dimethylphenoxy)-N-(2,3-dimethylphenyl)butanamide
SMILESCCC(Oc1ccc(C)c(C)c1)C(=O)Nc1cccc(C)c1C
InChIInChI=1S/C20H25NO2/c1-6-19(23-17-11-10-13(2)15(4)12-17)20(22)21-18-9-7-8-14(3)16(18)5/h7-12,19H,6H2,1-5H3,(H,21,22)
InChIKeyOFPWGYZKIQTRIN-UHFFFAOYSA-N
XLogP4.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 92676372
(2S)-N-(2,3-dimethylphenyl)-2-naphthalen-2-yloxybutanamide
CID 93486668
N-(2,3-dimethylphenyl)-2-(4-methoxyphenoxy)butanamide
CID 17034276
methyl 3-[[(2R)-2-(3,4-dimethylphenoxy)butanoyl]amino]-2-methylbenzoate
CID 94013322
(2R)-N-(2,3-dimethylphenyl)-2-phenoxybutanamide
CID 871108
(2S)-N-(2,3-dimethylphenyl)-2-(3-methoxyphenoxy)butanamide
CID 93488485
(2R)-2-(3,4-dimethylphenoxy)-N-naphthalen-1-ylbutanamide
CID 30379357
(2S)-N-(2-chlorophenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 28633690
2-(3,4-dimethylphenoxy)-N-(2-phenoxyphenyl)butanamide
CID 43876954
(2R)-N-(2,5-dimethoxyphenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 28576208
N-(3-bromophenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 46763093
2-(3,4-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
CID 43905698

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-(2,3-dimethylphenyl)butanamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-(2,3-dimethylphenyl)butanamide (CID 43916757) is 2-(3,4-dimethylphenoxy)-N-(2,3-dimethylphenyl)butanamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-(2,3-dimethylphenyl)butanamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-(2,3-dimethylphenyl)butanamide is CCC(Oc1ccc(C)c(C)c1)C(=O)Nc1cccc(C)c1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-(2,3-dimethylphenyl)butanamide?
The InChIKey is OFPWGYZKIQTRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-6-19(23-17-11-10-13(2)15(4)12-17)20(22)21-18-9-7-8-14(3)16(18)5/h7-12,19H,6H2,1-5H3,(H,21,22).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-(2,3-dimethylphenyl)butanamide?
2-(3,4-dimethylphenoxy)-N-(2,3-dimethylphenyl)butanamide has a molecular weight of 311.43 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-(2,3-dimethylphenyl)butanamide is sourced from PubChem (CID 43916757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).