2-(4-methylphenoxy)-N-[4-(2-phenylethoxy)phenyl]butanamide

C25H27NO3 — CID 17066984

IUPAC2-(4-methylphenoxy)-N-[4-(2-phenylethoxy)phenyl]butanamide
SMILESCCC(Oc1ccc(C)cc1)C(=O)Nc1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C25H27NO3/c1-3-24(29-23-13-9-19(2)10-14-23)25(27)26-21-11-15-22(16-12-21)28-18-17-20-7-5-4-6-8-20/h4-16,24H,3,17-18H2,1-2H3,(H,26,27)
InChIKeyQMTPJDHGEYNQCD-UHFFFAOYSA-N
MW389.50 g/mol
LogP5.41
Rot. Bonds9

About 2-(4-methylphenoxy)-N-[4-(2-phenylethoxy)phenyl]butanamide

2-(4-methylphenoxy)-N-[4-(2-phenylethoxy)phenyl]butanamide (PubChem CID 17066984) has the molecular formula C25H27NO3 and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[4-(2-phenylethoxy)phenyl]butanamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[4-(2-phenylethoxy)phenyl]butanamide
PubChem CID17066984
Molecular FormulaC25H27NO3
Molecular Weight389.50 g/mol
Exact Mass389.20
IUPAC Name2-(4-methylphenoxy)-N-[4-(2-phenylethoxy)phenyl]butanamide
SMILESCCC(Oc1ccc(C)cc1)C(=O)Nc1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C25H27NO3/c1-3-24(29-23-13-9-19(2)10-14-23)25(27)26-21-11-15-22(16-12-21)28-18-17-20-7-5-4-6-8-20/h4-16,24H,3,17-18H2,1-2H3,(H,26,27)
InChIKeyQMTPJDHGEYNQCD-UHFFFAOYSA-N
XLogP5.41
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 ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenoxy-N-[4-(2-phenylethoxy)phenyl]butanamide
CID 17066992
(2S)-2-phenoxy-N-[4-(2-phenoxyethoxy)phenyl]butanamide
CID 9296848
2-phenoxy-N-(4-phenylmethoxyphenyl)butanamide
CID 2944488
N-[4-(2-methoxyethoxy)phenyl]-2-(4-phenylphenoxy)butanamide
CID 17073434
N-[4-(2-ethoxyethoxy)phenyl]-2-phenoxybutanamide
CID 17130611
N-(4-ethylphenyl)-2-(4-methylphenoxy)butanamide
CID 53286287
N-[4-(3-methylbutoxy)phenyl]-2-phenoxybutanamide
CID 4949910
2-phenoxy-N-[4-(2-phenylethoxy)phenyl]propanamide
CID 17066974
2-(3,5-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide
CID 132659061
2-(4-ethylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide
CID 132659062
N-(4-methylphenyl)-2-[4-(2-phenylethoxy)anilino]acetamide
CID 54824064
N-(4-cyanophenyl)-2-(4-methylphenoxy)butanamide
CID 4949925

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[4-(2-phenylethoxy)phenyl]butanamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[4-(2-phenylethoxy)phenyl]butanamide (CID 17066984) is 2-(4-methylphenoxy)-N-[4-(2-phenylethoxy)phenyl]butanamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[4-(2-phenylethoxy)phenyl]butanamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[4-(2-phenylethoxy)phenyl]butanamide is CCC(Oc1ccc(C)cc1)C(=O)Nc1ccc(OCCc2ccccc2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[4-(2-phenylethoxy)phenyl]butanamide?
The InChIKey is QMTPJDHGEYNQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO3/c1-3-24(29-23-13-9-19(2)10-14-23)25(27)26-21-11-15-22(16-12-21)28-18-17-20-7-5-4-6-8-20/h4-16,24H,3,17-18H2,1-2H3,(H,26,27).
What are the key properties of 2-(4-methylphenoxy)-N-[4-(2-phenylethoxy)phenyl]butanamide?
2-(4-methylphenoxy)-N-[4-(2-phenylethoxy)phenyl]butanamide has a molecular weight of 389.50 g/mol, XLogP of 5.41, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[4-(2-phenylethoxy)phenyl]butanamide is sourced from PubChem (CID 17066984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).