N-methoxy-4-oxo-4-(4-phenylphenyl)butanamide

C17H17NO3 — CID 71943599

IUPACN-methoxy-4-oxo-4-(4-phenylphenyl)butanamide
SMILESCONC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H17NO3/c1-21-18-17(20)12-11-16(19)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,18,20)
InChIKeyZXQPCTPMYUYAEP-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.99
Rot. Bonds6

About N-methoxy-4-oxo-4-(4-phenylphenyl)butanamide

N-methoxy-4-oxo-4-(4-phenylphenyl)butanamide (PubChem CID 71943599) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-methoxy-4-oxo-4-(4-phenylphenyl)butanamide.

Molecular Properties

Compound NameN-methoxy-4-oxo-4-(4-phenylphenyl)butanamide
PubChem CID71943599
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC NameN-methoxy-4-oxo-4-(4-phenylphenyl)butanamide
SMILESCONC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H17NO3/c1-21-18-17(20)12-11-16(19)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,18,20)
InChIKeyZXQPCTPMYUYAEP-UHFFFAOYSA-N
XLogP2.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-oxo-4-(4-phenylphenyl)butanoate
CID 527312
methyl 4-oxo-4-[4-(4-phenylphenyl)phenyl]butanoate
CID 10871655
N-methoxy-3-(4-phenylphenyl)propanamide
CID 144913609
N-(2-methylphenyl)-4-oxo-4-(4-phenylphenyl)butanamide
CID 5003132
methyl (3R)-3-[[4-oxo-4-(4-phenylphenyl)butanoyl]amino]-3-phenylpropanoate
CID 9333199
1-O-methyl 4-O-[2-oxo-2-(4-phenylphenyl)ethyl] butanedioate
CID 19132591
methyl 4-methyl-3-[[4-oxo-4-(4-phenylphenyl)butanoyl]amino]benzoate
CID 9378196
N-(3-amino-2-methylpropyl)-4-oxo-4-(4-phenylphenyl)butanamide;hydrochloride
CID 119997393
4-oxo-4-(4-phenylphenyl)-N-(3-propan-2-yloxypropyl)butanamide
CID 17475127
(2-anilino-2-oxoethyl) 4-oxo-4-(4-phenylphenyl)butanoate
CID 8971115
N,N-dimethyl-4-oxo-4-(4-phenylphenyl)butanamide
CID 154274689
N-methoxy-5-(4-methoxyphenyl)-5-oxopentanamide
CID 47413820

Frequently Asked Questions

What is the IUPAC name of N-methoxy-4-oxo-4-(4-phenylphenyl)butanamide?
The IUPAC name of N-methoxy-4-oxo-4-(4-phenylphenyl)butanamide (CID 71943599) is N-methoxy-4-oxo-4-(4-phenylphenyl)butanamide.
What is the SMILES notation for N-methoxy-4-oxo-4-(4-phenylphenyl)butanamide?
The canonical SMILES for N-methoxy-4-oxo-4-(4-phenylphenyl)butanamide is CONC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-methoxy-4-oxo-4-(4-phenylphenyl)butanamide?
The InChIKey is ZXQPCTPMYUYAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-21-18-17(20)12-11-16(19)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,18,20).
What are the key properties of N-methoxy-4-oxo-4-(4-phenylphenyl)butanamide?
N-methoxy-4-oxo-4-(4-phenylphenyl)butanamide has a molecular weight of 283.33 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-4-oxo-4-(4-phenylphenyl)butanamide is sourced from PubChem (CID 71943599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).