1,1'-biphenyl;N-methoxy-3-phenylbutanamide

C23H25NO2 — CID 144913601

IUPAC1,1'-biphenyl;N-methoxy-3-phenylbutanamide
SMILESCONC(=O)CC(C)c1ccccc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C11H15NO2/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-9(8-11(13)12-14-2)10-6-4-3-5-7-10/h1-10H;3-7,9H,8H2,1-2H3,(H,12,13)
InChIKeyZSODWWCLEHBITI-UHFFFAOYSA-N
MW347.46 g/mol
LogP5.21
Rot. Bonds5

About 1,1'-biphenyl;N-methoxy-3-phenylbutanamide

1,1'-biphenyl;N-methoxy-3-phenylbutanamide (PubChem CID 144913601) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1,1'-biphenyl;N-methoxy-3-phenylbutanamide.

Molecular Properties

Compound Name1,1'-biphenyl;N-methoxy-3-phenylbutanamide
PubChem CID144913601
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Name1,1'-biphenyl;N-methoxy-3-phenylbutanamide
SMILESCONC(=O)CC(C)c1ccccc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C11H15NO2/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-9(8-11(13)12-14-2)10-6-4-3-5-7-10/h1-10H;3-7,9H,8H2,1-2H3,(H,12,13)
InChIKeyZSODWWCLEHBITI-UHFFFAOYSA-N
XLogP5.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.46
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-phenyl-N-(4-phenylphenyl)butanamide
CID 7925945
3-(3,5-dimethylphenyl)-N-methoxybutanamide
CID 144913572
N-methoxy-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 144913522
3-phenyl-N-(1-phenylethyl)butanamide
CID 85158546
methyl 3-(3-phenylbutanoylamino)propanoate
CID 78784490
2-phenyl-3-(3-phenylbutanoylamino)propanoic acid
CID 119254594
N-(3-aminobutyl)-3-phenylbutanamide
CID 119496736
[2-oxo-2-(4-phenylphenyl)ethyl] (3S)-3-phenylbutanoate
CID 7228115
(3S)-N-(3,5-dimethoxyphenyl)-3-phenylbutanamide
CID 8005275
methyl 2-methyl-3-(2-phenylpropylamino)propanoate
CID 104591422
(3R)-N-(3,3-diphenylpropyl)-3-phenylbutanamide
CID 40629946
N-methoxy-3-(4-phenylphenyl)propanamide
CID 144913609

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;N-methoxy-3-phenylbutanamide?
The IUPAC name of 1,1'-biphenyl;N-methoxy-3-phenylbutanamide (CID 144913601) is 1,1'-biphenyl;N-methoxy-3-phenylbutanamide.
What is the SMILES notation for 1,1'-biphenyl;N-methoxy-3-phenylbutanamide?
The canonical SMILES for 1,1'-biphenyl;N-methoxy-3-phenylbutanamide is CONC(=O)CC(C)c1ccccc1.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;N-methoxy-3-phenylbutanamide?
The InChIKey is ZSODWWCLEHBITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C11H15NO2/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-9(8-11(13)12-14-2)10-6-4-3-5-7-10/h1-10H;3-7,9H,8H2,1-2H3,(H,12,13).
What are the key properties of 1,1'-biphenyl;N-methoxy-3-phenylbutanamide?
1,1'-biphenyl;N-methoxy-3-phenylbutanamide has a molecular weight of 347.46 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;N-methoxy-3-phenylbutanamide is sourced from PubChem (CID 144913601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).