2-phenoxy-N-[2-(3-phenylpropoxy)phenyl]butanamide

C25H27NO3 — CID 17131447

IUPAC2-phenoxy-N-[2-(3-phenylpropoxy)phenyl]butanamide
SMILESCCC(Oc1ccccc1)C(=O)Nc1ccccc1OCCCc1ccccc1
InChIInChI=1S/C25H27NO3/c1-2-23(29-21-15-7-4-8-16-21)25(27)26-22-17-9-10-18-24(22)28-19-11-14-20-12-5-3-6-13-20/h3-10,12-13,15-18,23H,2,11,14,19H2,1H3,(H,26,27)
InChIKeySYJHNDHQCDCZLA-UHFFFAOYSA-N
MW389.50 g/mol
LogP5.49
Rot. Bonds10

About 2-phenoxy-N-[2-(3-phenylpropoxy)phenyl]butanamide

2-phenoxy-N-[2-(3-phenylpropoxy)phenyl]butanamide (PubChem CID 17131447) has the molecular formula C25H27NO3 and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-phenoxy-N-[2-(3-phenylpropoxy)phenyl]butanamide.

Molecular Properties

Compound Name2-phenoxy-N-[2-(3-phenylpropoxy)phenyl]butanamide
PubChem CID17131447
Molecular FormulaC25H27NO3
Molecular Weight389.50 g/mol
Exact Mass389.20
IUPAC Name2-phenoxy-N-[2-(3-phenylpropoxy)phenyl]butanamide
SMILESCCC(Oc1ccccc1)C(=O)Nc1ccccc1OCCCc1ccccc1
InChIInChI=1S/C25H27NO3/c1-2-23(29-21-15-7-4-8-16-21)25(27)26-22-17-9-10-18-24(22)28-19-11-14-20-12-5-3-6-13-20/h3-10,12-13,15-18,23H,2,11,14,19H2,1H3,(H,26,27)
InChIKeySYJHNDHQCDCZLA-UHFFFAOYSA-N
XLogP5.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethylphenoxy)-N-[2-(3-phenylpropoxy)phenyl]propanamide
CID 17131474
2-phenoxy-N-[2-(trifluoromethoxy)phenyl]butanamide
CID 42922033
2-phenoxy-N-[4-(2-phenylethoxy)phenyl]butanamide
CID 17066992
2-(4-methoxyphenoxy)-N-(2-phenoxyphenyl)butanamide
CID 21173380
(2S)-N-(2-fluorophenyl)-2-phenoxybutanamide
CID 966418
2-(4-ethylphenoxy)-N-(2-methoxyphenyl)butanamide
CID 53288679
(2R)-N-naphthalen-1-yl-2-phenoxybutanamide
CID 904123
(2R)-2-(3-methoxyphenoxy)-N-(2-methoxyphenyl)butanamide
CID 94027055
(2R)-2-(3-methylphenoxy)-N-(2-phenoxyphenyl)butanamide
CID 28573798
4-ethoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide
CID 17131440
2-[[(2S)-2-phenoxybutanoyl]amino]benzamide
CID 898266
2-(methylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54820711

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[2-(3-phenylpropoxy)phenyl]butanamide?
The IUPAC name of 2-phenoxy-N-[2-(3-phenylpropoxy)phenyl]butanamide (CID 17131447) is 2-phenoxy-N-[2-(3-phenylpropoxy)phenyl]butanamide.
What is the SMILES notation for 2-phenoxy-N-[2-(3-phenylpropoxy)phenyl]butanamide?
The canonical SMILES for 2-phenoxy-N-[2-(3-phenylpropoxy)phenyl]butanamide is CCC(Oc1ccccc1)C(=O)Nc1ccccc1OCCCc1ccccc1.
What is the InChIKey of 2-phenoxy-N-[2-(3-phenylpropoxy)phenyl]butanamide?
The InChIKey is SYJHNDHQCDCZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO3/c1-2-23(29-21-15-7-4-8-16-21)25(27)26-22-17-9-10-18-24(22)28-19-11-14-20-12-5-3-6-13-20/h3-10,12-13,15-18,23H,2,11,14,19H2,1H3,(H,26,27).
What are the key properties of 2-phenoxy-N-[2-(3-phenylpropoxy)phenyl]butanamide?
2-phenoxy-N-[2-(3-phenylpropoxy)phenyl]butanamide has a molecular weight of 389.50 g/mol, XLogP of 5.49, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[2-(3-phenylpropoxy)phenyl]butanamide is sourced from PubChem (CID 17131447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).