2-(4-phenylphenoxy)-N-(3-propoxyphenyl)butanamide

C25H27NO3 — CID 17096805

IUPAC2-(4-phenylphenoxy)-N-(3-propoxyphenyl)butanamide
SMILESCCCOc1cccc(NC(=O)C(CC)Oc2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C25H27NO3/c1-3-17-28-23-12-8-11-21(18-23)26-25(27)24(4-2)29-22-15-13-20(14-16-22)19-9-6-5-7-10-19/h5-16,18,24H,3-4,17H2,1-2H3,(H,26,27)
InChIKeyWEUWYRYOCGSPTC-UHFFFAOYSA-N
MW389.50 g/mol
LogP5.94
Rot. Bonds9

About 2-(4-phenylphenoxy)-N-(3-propoxyphenyl)butanamide

2-(4-phenylphenoxy)-N-(3-propoxyphenyl)butanamide (PubChem CID 17096805) has the molecular formula C25H27NO3 and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-(4-phenylphenoxy)-N-(3-propoxyphenyl)butanamide.

Molecular Properties

Compound Name2-(4-phenylphenoxy)-N-(3-propoxyphenyl)butanamide
PubChem CID17096805
Molecular FormulaC25H27NO3
Molecular Weight389.50 g/mol
Exact Mass389.20
IUPAC Name2-(4-phenylphenoxy)-N-(3-propoxyphenyl)butanamide
SMILESCCCOc1cccc(NC(=O)C(CC)Oc2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C25H27NO3/c1-3-17-28-23-12-8-11-21(18-23)26-25(27)24(4-2)29-22-15-13-20(14-16-22)19-9-6-5-7-10-19/h5-16,18,24H,3-4,17H2,1-2H3,(H,26,27)
InChIKeyWEUWYRYOCGSPTC-UHFFFAOYSA-N
XLogP5.94
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 ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(3-methylbutoxy)phenyl]-2-(4-phenylphenoxy)butanamide
CID 17097350
(2S)-N-(3-ethoxyphenyl)-2-(4-methylphenoxy)butanamide
CID 41228638
N-(3-methoxyphenyl)-2-phenoxybutanamide
CID 3831473
2-phenoxy-N-(3-propan-2-yloxyphenyl)butanamide
CID 17154738
N-[3-(2-phenoxyethoxy)phenyl]-2-(4-phenylphenoxy)propanamide
CID 17123582
N-[4-(2-methoxyethoxy)phenyl]-2-(4-phenylphenoxy)butanamide
CID 17073434
2-(2-butan-2-ylphenoxy)-N-(3-propoxyphenyl)butanamide
CID 17150722
(2S)-2-phenoxy-N-[4-(2-phenoxyethoxy)phenyl]butanamide
CID 9296848
[3-(2-phenoxybutanoylamino)phenyl] acetate
CID 17341786
2-(3-methylphenoxy)-N-(4-propoxyphenyl)butanamide
CID 4943144
(2S)-2-(4-fluorophenoxy)-N-(3-prop-2-enoxyphenyl)butanamide
CID 28634034
N-(3-chloro-4-methylphenyl)-2-(4-phenylphenoxy)butanamide
CID 17073364

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenoxy)-N-(3-propoxyphenyl)butanamide?
The IUPAC name of 2-(4-phenylphenoxy)-N-(3-propoxyphenyl)butanamide (CID 17096805) is 2-(4-phenylphenoxy)-N-(3-propoxyphenyl)butanamide.
What is the SMILES notation for 2-(4-phenylphenoxy)-N-(3-propoxyphenyl)butanamide?
The canonical SMILES for 2-(4-phenylphenoxy)-N-(3-propoxyphenyl)butanamide is CCCOc1cccc(NC(=O)C(CC)Oc2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of 2-(4-phenylphenoxy)-N-(3-propoxyphenyl)butanamide?
The InChIKey is WEUWYRYOCGSPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO3/c1-3-17-28-23-12-8-11-21(18-23)26-25(27)24(4-2)29-22-15-13-20(14-16-22)19-9-6-5-7-10-19/h5-16,18,24H,3-4,17H2,1-2H3,(H,26,27).
What are the key properties of 2-(4-phenylphenoxy)-N-(3-propoxyphenyl)butanamide?
2-(4-phenylphenoxy)-N-(3-propoxyphenyl)butanamide has a molecular weight of 389.50 g/mol, XLogP of 5.94, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenoxy)-N-(3-propoxyphenyl)butanamide is sourced from PubChem (CID 17096805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).