2-(3,4-dimethylphenoxy)-N-(3,5-dimethylphenyl)butanamide

C20H25NO2 — CID 53284429

IUPAC2-(3,4-dimethylphenoxy)-N-(3,5-dimethylphenyl)butanamide
SMILESCCC(Oc1ccc(C)c(C)c1)C(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C20H25NO2/c1-6-19(23-18-8-7-15(4)16(5)12-18)20(22)21-17-10-13(2)9-14(3)11-17/h7-12,19H,6H2,1-5H3,(H,21,22)
InChIKeyORGYJUFUTFXEHK-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.72
Rot. Bonds5

About 2-(3,4-dimethylphenoxy)-N-(3,5-dimethylphenyl)butanamide

2-(3,4-dimethylphenoxy)-N-(3,5-dimethylphenyl)butanamide (PubChem CID 53284429) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-(3,5-dimethylphenyl)butanamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-(3,5-dimethylphenyl)butanamide
PubChem CID53284429
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name2-(3,4-dimethylphenoxy)-N-(3,5-dimethylphenyl)butanamide
SMILESCCC(Oc1ccc(C)c(C)c1)C(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C20H25NO2/c1-6-19(23-18-8-7-15(4)16(5)12-18)20(22)21-17-10-13(2)9-14(3)11-17/h7-12,19H,6H2,1-5H3,(H,21,22)
InChIKeyORGYJUFUTFXEHK-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)-2-(3,4-dimethylphenoxy)-N-(4-ethylphenyl)butanamide
CID 99131438
N-(3-bromophenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 46763093
(2R)-N-(3-chloro-4-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 94015863
(2R)-2-(2,5-dimethylphenoxy)-N-(3,5-dimethylphenyl)butanamide
CID 92646353
(2R)-2-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 99133224
(2S)-2-(3,4-dimethylphenoxy)-N-naphthalen-2-ylbutanamide
CID 28636461
(2R)-N-(3,4-difluorophenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 92682069
(2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 92678020
2-(3,4-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
CID 43905698
2-(3,5-dimethylphenoxy)-N-(4-methylphenyl)butanamide
CID 17034416
3-[2-(3,4-dimethylphenoxy)butanoylamino]benzamide
CID 53284317
N-(4-butylphenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 43907479

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-(3,5-dimethylphenyl)butanamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-(3,5-dimethylphenyl)butanamide (CID 53284429) is 2-(3,4-dimethylphenoxy)-N-(3,5-dimethylphenyl)butanamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-(3,5-dimethylphenyl)butanamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-(3,5-dimethylphenyl)butanamide is CCC(Oc1ccc(C)c(C)c1)C(=O)Nc1cc(C)cc(C)c1.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-(3,5-dimethylphenyl)butanamide?
The InChIKey is ORGYJUFUTFXEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-6-19(23-18-8-7-15(4)16(5)12-18)20(22)21-17-10-13(2)9-14(3)11-17/h7-12,19H,6H2,1-5H3,(H,21,22).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-(3,5-dimethylphenyl)butanamide?
2-(3,4-dimethylphenoxy)-N-(3,5-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-(3,5-dimethylphenyl)butanamide is sourced from PubChem (CID 53284429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).