2-phenoxy-N-(4-phenylmethoxyphenyl)butanamide

C23H23NO3 — CID 2944488

IUPAC2-phenoxy-N-(4-phenylmethoxyphenyl)butanamide
SMILESCCC(Oc1ccccc1)C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H23NO3/c1-2-22(27-21-11-7-4-8-12-21)23(25)24-19-13-15-20(16-14-19)26-17-18-9-5-3-6-10-18/h3-16,22H,2,17H2,1H3,(H,24,25)
InChIKeyMLGGUMNPZQUCEE-UHFFFAOYSA-N
MW361.44 g/mol
LogP5.06
Rot. Bonds8

About 2-phenoxy-N-(4-phenylmethoxyphenyl)butanamide

2-phenoxy-N-(4-phenylmethoxyphenyl)butanamide (PubChem CID 2944488) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is 2-phenoxy-N-(4-phenylmethoxyphenyl)butanamide.

Molecular Properties

Compound Name2-phenoxy-N-(4-phenylmethoxyphenyl)butanamide
PubChem CID2944488
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Name2-phenoxy-N-(4-phenylmethoxyphenyl)butanamide
SMILESCCC(Oc1ccccc1)C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H23NO3/c1-2-22(27-21-11-7-4-8-12-21)23(25)24-19-13-15-20(16-14-19)26-17-18-9-5-3-6-10-18/h3-16,22H,2,17H2,1H3,(H,24,25)
InChIKeyMLGGUMNPZQUCEE-UHFFFAOYSA-N
XLogP5.06
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.44
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide
CID 132659062
2-(3,5-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide
CID 132659061
2-(3,4-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide
CID 46771146
(2S)-2-phenoxy-N-[4-(2-phenoxyethoxy)phenyl]butanamide
CID 9296848
2-phenoxy-N-[4-(2-phenylethoxy)phenyl]butanamide
CID 17066992
N-[4-(2-ethoxyethoxy)phenyl]-2-phenoxybutanamide
CID 17130611
N-[4-(3-methylbutoxy)phenyl]-2-phenoxybutanamide
CID 4949910
2-(4-methylphenoxy)-N-[4-(2-phenylethoxy)phenyl]butanamide
CID 17066984
(2R)-N-(4-iodophenyl)-2-phenoxybutanamide
CID 1369955
N-[4-(2-methoxyethoxy)phenyl]-2-(4-phenylphenoxy)butanamide
CID 17073434
2-phenoxy-N-(4-phenyldiazenylphenyl)butanamide
CID 3643695
N-(4-ethoxyphenyl)-2-(2-phenoxybutanoylamino)benzamide
CID 4929653

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-(4-phenylmethoxyphenyl)butanamide?
The IUPAC name of 2-phenoxy-N-(4-phenylmethoxyphenyl)butanamide (CID 2944488) is 2-phenoxy-N-(4-phenylmethoxyphenyl)butanamide.
What is the SMILES notation for 2-phenoxy-N-(4-phenylmethoxyphenyl)butanamide?
The canonical SMILES for 2-phenoxy-N-(4-phenylmethoxyphenyl)butanamide is CCC(Oc1ccccc1)C(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-phenoxy-N-(4-phenylmethoxyphenyl)butanamide?
The InChIKey is MLGGUMNPZQUCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3/c1-2-22(27-21-11-7-4-8-12-21)23(25)24-19-13-15-20(16-14-19)26-17-18-9-5-3-6-10-18/h3-16,22H,2,17H2,1H3,(H,24,25).
What are the key properties of 2-phenoxy-N-(4-phenylmethoxyphenyl)butanamide?
2-phenoxy-N-(4-phenylmethoxyphenyl)butanamide has a molecular weight of 361.44 g/mol, XLogP of 5.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-(4-phenylmethoxyphenyl)butanamide is sourced from PubChem (CID 2944488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).