N-benzyl-2-oxo-5-(4-phenylmethoxyphenyl)pentanamide

C25H25NO3 — CID 54443194

IUPACN-benzyl-2-oxo-5-(4-phenylmethoxyphenyl)pentanamide
SMILESO=C(CCCc1ccc(OCc2ccccc2)cc1)C(=O)NCc1ccccc1
InChIInChI=1S/C25H25NO3/c27-24(25(28)26-18-21-8-3-1-4-9-21)13-7-12-20-14-16-23(17-15-20)29-19-22-10-5-2-6-11-22/h1-6,8-11,14-17H,7,12-13,18-19H2,(H,26,28)
InChIKeyWPPCSRINYSSESQ-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.47
Rot. Bonds10

About N-benzyl-2-oxo-5-(4-phenylmethoxyphenyl)pentanamide

N-benzyl-2-oxo-5-(4-phenylmethoxyphenyl)pentanamide (PubChem CID 54443194) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-benzyl-2-oxo-5-(4-phenylmethoxyphenyl)pentanamide.

Molecular Properties

Compound NameN-benzyl-2-oxo-5-(4-phenylmethoxyphenyl)pentanamide
PubChem CID54443194
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC NameN-benzyl-2-oxo-5-(4-phenylmethoxyphenyl)pentanamide
SMILESO=C(CCCc1ccc(OCc2ccccc2)cc1)C(=O)NCc1ccccc1
InChIInChI=1S/C25H25NO3/c27-24(25(28)26-18-21-8-3-1-4-9-21)13-7-12-20-14-16-23(17-15-20)29-19-22-10-5-2-6-11-22/h1-6,8-11,14-17H,7,12-13,18-19H2,(H,26,28)
InChIKeyWPPCSRINYSSESQ-UHFFFAOYSA-N
XLogP4.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(4-phenylmethoxyphenyl)hexanoic acid
CID 138486172
(4S)-N-benzyl-4-hydroxy-6-(4-phenylmethoxyphenyl)hexanamide
CID 57123573
N-[(4-fluorophenyl)methyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 7478807
4-oxo-4-[[4-(3-phenylpropoxy)phenyl]methylamino]butanoic acid
CID 20990989
2-amino-6-phenyl-1-(4-phenylmethoxyphenyl)hexan-3-one
CID 19381349
lithium 3-(4-phenylmethoxyphenyl)propan-1-olate
CID 70590872
4-(methylamino)-N-[2-(4-phenylmethoxyphenyl)ethyl]butanamide
CID 119735749
(2S)-2-amino-6-phenyl-1-(4-phenylmethoxyphenyl)hexan-3-one;hydrochloride
CID 67808775
(4-phenylmethoxyphenyl)methylthiourea
CID 5277334
4-[[4-[(Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]benzoate
CID 7476837
N-[(4-phenylmethoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55871682
3-[3-[4-[2-(4-phenylmethoxyphenyl)ethoxy]phenyl]propylamino]propanoic acid
CID 23121054

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-oxo-5-(4-phenylmethoxyphenyl)pentanamide?
The IUPAC name of N-benzyl-2-oxo-5-(4-phenylmethoxyphenyl)pentanamide (CID 54443194) is N-benzyl-2-oxo-5-(4-phenylmethoxyphenyl)pentanamide.
What is the SMILES notation for N-benzyl-2-oxo-5-(4-phenylmethoxyphenyl)pentanamide?
The canonical SMILES for N-benzyl-2-oxo-5-(4-phenylmethoxyphenyl)pentanamide is O=C(CCCc1ccc(OCc2ccccc2)cc1)C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-oxo-5-(4-phenylmethoxyphenyl)pentanamide?
The InChIKey is WPPCSRINYSSESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO3/c27-24(25(28)26-18-21-8-3-1-4-9-21)13-7-12-20-14-16-23(17-15-20)29-19-22-10-5-2-6-11-22/h1-6,8-11,14-17H,7,12-13,18-19H2,(H,26,28).
What are the key properties of N-benzyl-2-oxo-5-(4-phenylmethoxyphenyl)pentanamide?
N-benzyl-2-oxo-5-(4-phenylmethoxyphenyl)pentanamide has a molecular weight of 387.48 g/mol, XLogP of 4.47, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-oxo-5-(4-phenylmethoxyphenyl)pentanamide is sourced from PubChem (CID 54443194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).