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

C24H25NO3 — CID 43876954

IUPAC2-(3,4-dimethylphenoxy)-N-(2-phenoxyphenyl)butanamide
SMILESCCC(Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C24H25NO3/c1-4-22(28-20-15-14-17(2)18(3)16-20)24(26)25-21-12-8-9-13-23(21)27-19-10-6-5-7-11-19/h5-16,22H,4H2,1-3H3,(H,25,26)
InChIKeyZBJBYHQZQKSSNS-UHFFFAOYSA-N
MW375.47 g/mol
LogP5.89
Rot. Bonds7

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

2-(3,4-dimethylphenoxy)-N-(2-phenoxyphenyl)butanamide (PubChem CID 43876954) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-(2-phenoxyphenyl)butanamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-(2-phenoxyphenyl)butanamide
PubChem CID43876954
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC Name2-(3,4-dimethylphenoxy)-N-(2-phenoxyphenyl)butanamide
SMILESCCC(Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C24H25NO3/c1-4-22(28-20-15-14-17(2)18(3)16-20)24(26)25-21-12-8-9-13-23(21)27-19-10-6-5-7-11-19/h5-16,22H,4H2,1-3H3,(H,25,26)
InChIKeyZBJBYHQZQKSSNS-UHFFFAOYSA-N
XLogP5.89
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3-methylphenoxy)-N-(2-phenoxyphenyl)butanamide
CID 28573798
2-(4-methoxyphenoxy)-N-(2-phenoxyphenyl)butanamide
CID 21173380
N-(2-phenoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133200251
(2S)-N-(2-chlorophenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 28633690
(2R)-2-(3,4-dimethylphenoxy)-N-naphthalen-1-ylbutanamide
CID 30379357
2-(3,4-dimethylphenoxy)-N-(2,3-dimethylphenyl)butanamide
CID 43916757
(2R)-2-(3-methoxyphenoxy)-N-(2-methoxyphenyl)butanamide
CID 94027055
(2S)-N-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 92676372
2-(4-chloro-3-methylphenoxy)-N-(2-ethoxyphenyl)butanamide
CID 53289071
(2R)-N-(2,5-dimethoxyphenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 28576208
2-(3,4-dimethylphenoxy)-N-(2-phenoxyphenyl)acetamide
CID 21368284
(2R)-N-(2,5-dimethylphenyl)-2-phenoxybutanamide
CID 871725

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-(2-phenoxyphenyl)butanamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-(2-phenoxyphenyl)butanamide (CID 43876954) is 2-(3,4-dimethylphenoxy)-N-(2-phenoxyphenyl)butanamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-(2-phenoxyphenyl)butanamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-(2-phenoxyphenyl)butanamide is CCC(Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-(2-phenoxyphenyl)butanamide?
The InChIKey is ZBJBYHQZQKSSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3/c1-4-22(28-20-15-14-17(2)18(3)16-20)24(26)25-21-12-8-9-13-23(21)27-19-10-6-5-7-11-19/h5-16,22H,4H2,1-3H3,(H,25,26).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-(2-phenoxyphenyl)butanamide?
2-(3,4-dimethylphenoxy)-N-(2-phenoxyphenyl)butanamide has a molecular weight of 375.47 g/mol, XLogP of 5.89, 7 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-(2-phenoxyphenyl)butanamide is sourced from PubChem (CID 43876954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).