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

C20H22N4O2 — CID 58554685

IUPACN-(4-azidobutyl)-4-oxo-4-(4-phenylphenyl)butanamide
SMILES[N-]=[N+]=NCCCCNC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H22N4O2/c21-24-23-15-5-4-14-22-20(26)13-12-19(25)18-10-8-17(9-11-18)16-6-2-1-3-7-16/h1-3,6-11H,4-5,12-15H2,(H,22,26)
InChIKeyWBQUUTIMZZIEDV-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.52
Rot. Bonds10

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

N-(4-azidobutyl)-4-oxo-4-(4-phenylphenyl)butanamide (PubChem CID 58554685) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(4-azidobutyl)-4-oxo-4-(4-phenylphenyl)butanamide.

Molecular Properties

Compound NameN-(4-azidobutyl)-4-oxo-4-(4-phenylphenyl)butanamide
PubChem CID58554685
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-(4-azidobutyl)-4-oxo-4-(4-phenylphenyl)butanamide
SMILES[N-]=[N+]=NCCCCNC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H22N4O2/c21-24-23-15-5-4-14-22-20(26)13-12-19(25)18-10-8-17(9-11-18)16-6-2-1-3-7-16/h1-3,6-11H,4-5,12-15H2,(H,22,26)
InChIKeyWBQUUTIMZZIEDV-UHFFFAOYSA-N
XLogP4.52
TPSA94.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-(4-azidobutyl)-4-phenylbutanamide
CID 114182194
N-(4-azidobutyl)-3-phenoxypropanamide
CID 114182203
4-oxo-4-(4-phenylphenyl)-N-(3-propan-2-yloxypropyl)butanamide
CID 17475127
N-(3-azidopropyl)-3-phenylpropanamide
CID 61344003
N-[2-(3-azidopropylamino)-2-oxoethyl]benzamide
CID 61344378
5-(6-azidohexylamino)-5-oxopentanoic acid
CID 58992347
4-oxo-4-(4-phenylphenyl)-N-(2-thiophen-2-ylethyl)butanamide
CID 17449159
12-azido-N-benzyldodecanamide
CID 19611794
N-(3-azidopropyl)-3-(4-methylphenyl)propanamide
CID 62503312
S-phenyl 3-(3-azidopropanoylamino)propanethioate
CID 71480875
N-(4-azidobutyl)hexanamide
CID 106386708
N-(4-azidobutyl)-2-methyl-2-phenylpropanamide
CID 114182177

Frequently Asked Questions

What is the IUPAC name of N-(4-azidobutyl)-4-oxo-4-(4-phenylphenyl)butanamide?
The IUPAC name of N-(4-azidobutyl)-4-oxo-4-(4-phenylphenyl)butanamide (CID 58554685) is N-(4-azidobutyl)-4-oxo-4-(4-phenylphenyl)butanamide.
What is the SMILES notation for N-(4-azidobutyl)-4-oxo-4-(4-phenylphenyl)butanamide?
The canonical SMILES for N-(4-azidobutyl)-4-oxo-4-(4-phenylphenyl)butanamide is [N-]=[N+]=NCCCCNC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(4-azidobutyl)-4-oxo-4-(4-phenylphenyl)butanamide?
The InChIKey is WBQUUTIMZZIEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c21-24-23-15-5-4-14-22-20(26)13-12-19(25)18-10-8-17(9-11-18)16-6-2-1-3-7-16/h1-3,6-11H,4-5,12-15H2,(H,22,26).
What are the key properties of N-(4-azidobutyl)-4-oxo-4-(4-phenylphenyl)butanamide?
N-(4-azidobutyl)-4-oxo-4-(4-phenylphenyl)butanamide has a molecular weight of 350.42 g/mol, XLogP of 4.52, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-azidobutyl)-4-oxo-4-(4-phenylphenyl)butanamide is sourced from PubChem (CID 58554685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).