N-(4-azidobutyl)-4-phenylbutanamide

C14H20N4O — CID 114182194

IUPACN-(4-azidobutyl)-4-phenylbutanamide
SMILES[N-]=[N+]=NCCCCNC(=O)CCCc1ccccc1
InChIInChI=1S/C14H20N4O/c15-18-17-12-5-4-11-16-14(19)10-6-9-13-7-2-1-3-8-13/h1-3,7-8H,4-6,9-12H2,(H,16,19)
InChIKeyVFQPMMWFDTUWDM-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.22
Rot. Bonds9

About N-(4-azidobutyl)-4-phenylbutanamide

N-(4-azidobutyl)-4-phenylbutanamide (PubChem CID 114182194) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(4-azidobutyl)-4-phenylbutanamide.

Molecular Properties

Compound NameN-(4-azidobutyl)-4-phenylbutanamide
PubChem CID114182194
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-(4-azidobutyl)-4-phenylbutanamide
SMILES[N-]=[N+]=NCCCCNC(=O)CCCc1ccccc1
InChIInChI=1S/C14H20N4O/c15-18-17-12-5-4-11-16-14(19)10-6-9-13-7-2-1-3-8-13/h1-3,7-8H,4-6,9-12H2,(H,16,19)
InChIKeyVFQPMMWFDTUWDM-UHFFFAOYSA-N
XLogP3.22
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(3-azidopropyl)-3-phenylpropanamide
CID 61344003
12-azido-N-benzyldodecanamide
CID 19611794
N-(4-azidobutyl)-3-phenoxypropanamide
CID 114182203
8-(4-phenylbutanoylamino)octanoic acid
CID 71129906
N-(4-azidobutyl)-4-oxo-4-(4-phenylphenyl)butanamide
CID 58554685
5-(6-azidohexylamino)-5-oxopentanoic acid
CID 58992347
N-(3-azidopropyl)-3-(4-methylphenyl)propanamide
CID 62503312
N-(4-isothiocyanatobutyl)-3-phenylpropanamide
CID 155566445
4-phenyl-N-(2-phenylethyl)butanamide;propane
CID 143447835
6-oxo-6-(3-phenylpropylamino)hexanoic acid
CID 60913632
N-(4-phenylbutyl)hexanamide
CID 4985988
N-(3-phenylpropyl)-3-(prop-2-enylamino)propanamide
CID 70408789

Frequently Asked Questions

What is the IUPAC name of N-(4-azidobutyl)-4-phenylbutanamide?
The IUPAC name of N-(4-azidobutyl)-4-phenylbutanamide (CID 114182194) is N-(4-azidobutyl)-4-phenylbutanamide.
What is the SMILES notation for N-(4-azidobutyl)-4-phenylbutanamide?
The canonical SMILES for N-(4-azidobutyl)-4-phenylbutanamide is [N-]=[N+]=NCCCCNC(=O)CCCc1ccccc1.
What is the InChIKey of N-(4-azidobutyl)-4-phenylbutanamide?
The InChIKey is VFQPMMWFDTUWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c15-18-17-12-5-4-11-16-14(19)10-6-9-13-7-2-1-3-8-13/h1-3,7-8H,4-6,9-12H2,(H,16,19).
What are the key properties of N-(4-azidobutyl)-4-phenylbutanamide?
N-(4-azidobutyl)-4-phenylbutanamide has a molecular weight of 260.34 g/mol, XLogP of 3.22, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-azidobutyl)-4-phenylbutanamide is sourced from PubChem (CID 114182194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).