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

C25H27NO3 — CID 132659062

IUPAC2-(4-ethylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide
SMILESCCc1ccc(OC(CC)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C25H27NO3/c1-3-19-10-14-23(15-11-19)29-24(4-2)25(27)26-21-12-16-22(17-13-21)28-18-20-8-6-5-7-9-20/h5-17,24H,3-4,18H2,1-2H3,(H,26,27)
InChIKeyRNEXJYFKUHWROA-UHFFFAOYSA-N
MW389.50 g/mol
LogP5.62
Rot. Bonds9

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

2-(4-ethylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide (PubChem CID 132659062) has the molecular formula C25H27NO3 and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide
PubChem CID132659062
Molecular FormulaC25H27NO3
Molecular Weight389.50 g/mol
Exact Mass389.20
IUPAC Name2-(4-ethylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide
SMILESCCc1ccc(OC(CC)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C25H27NO3/c1-3-19-10-14-23(15-11-19)29-24(4-2)25(27)26-21-12-16-22(17-13-21)28-18-20-8-6-5-7-9-20/h5-17,24H,3-4,18H2,1-2H3,(H,26,27)
InChIKeyRNEXJYFKUHWROA-UHFFFAOYSA-N
XLogP5.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenoxy-N-(4-phenylmethoxyphenyl)butanamide
CID 2944488
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
N-(4-ethylphenyl)-2-(4-methylphenoxy)butanamide
CID 53286287
2-phenoxy-N-[4-(2-phenylethoxy)phenyl]butanamide
CID 17066992
N-(4-ethylphenyl)-2-naphthalen-2-yloxybutanamide
CID 43904923
2-(4-methylphenoxy)-N-[4-(2-phenylethoxy)phenyl]butanamide
CID 17066984
N-[4-(2-ethoxyethoxy)phenyl]-2-phenoxybutanamide
CID 17130611
(2S)-2-(3,4-dimethylphenoxy)-N-(4-ethylphenyl)butanamide
CID 99131438
N-[4-(3-methylbutoxy)phenyl]-2-phenoxybutanamide
CID 4949910
N-[4-(2-methoxyethoxy)phenyl]-2-(4-phenylphenoxy)butanamide
CID 17073434

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide (CID 132659062) is 2-(4-ethylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide is CCc1ccc(OC(CC)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide?
The InChIKey is RNEXJYFKUHWROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO3/c1-3-19-10-14-23(15-11-19)29-24(4-2)25(27)26-21-12-16-22(17-13-21)28-18-20-8-6-5-7-9-20/h5-17,24H,3-4,18H2,1-2H3,(H,26,27).
What are the key properties of 2-(4-ethylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide?
2-(4-ethylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide has a molecular weight of 389.50 g/mol, XLogP of 5.62, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide is sourced from PubChem (CID 132659062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).