N-(3-azidopropyl)-3-phenylpropanamide

C12H16N4O — CID 61344003

IUPACN-(3-azidopropyl)-3-phenylpropanamide
SMILES[N-]=[N+]=NCCCNC(=O)CCc1ccccc1
InChIInChI=1S/C12H16N4O/c13-16-15-10-4-9-14-12(17)8-7-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,14,17)
InChIKeyWFZWLOBHCFFCPK-UHFFFAOYSA-N
MW232.29 g/mol
LogP2.44
Rot. Bonds7

About N-(3-azidopropyl)-3-phenylpropanamide

N-(3-azidopropyl)-3-phenylpropanamide (PubChem CID 61344003) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is N-(3-azidopropyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(3-azidopropyl)-3-phenylpropanamide
PubChem CID61344003
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC NameN-(3-azidopropyl)-3-phenylpropanamide
SMILES[N-]=[N+]=NCCCNC(=O)CCc1ccccc1
InChIInChI=1S/C12H16N4O/c13-16-15-10-4-9-14-12(17)8-7-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,14,17)
InChIKeyWFZWLOBHCFFCPK-UHFFFAOYSA-N
XLogP2.44
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 52.44
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-(4-azidobutyl)-4-phenylbutanamide
CID 114182194
N-(3-azidopropyl)-3-(4-methylphenyl)propanamide
CID 62503312
N-(4-isothiocyanatobutyl)-3-phenylpropanamide
CID 155566445
12-azido-N-benzyldodecanamide
CID 19611794
N-[2-(3-azidopropylamino)-2-oxoethyl]benzamide
CID 61344378
N-(4-azidobutyl)-3-phenoxypropanamide
CID 114182203
N-(4-azidobutyl)-4-oxo-4-(4-phenylphenyl)butanamide
CID 58554685
N-[2-(4-aminophenyl)ethyl]-3-phenylpropanamide
CID 39367183
N-[2-(3-phenylpropanoylamino)ethyl]butanamide
CID 108573772
ethane;N-(3-phenylpropyl)-3-(3-phenylpropylamino)propanamide
CID 142168077
N-(3-azidopropyl)-2-pyridin-2-ylacetamide
CID 55139148
N-(3-phenylpropyl)-3-sulfanylpropanamide
CID 107023597

Frequently Asked Questions

What is the IUPAC name of N-(3-azidopropyl)-3-phenylpropanamide?
The IUPAC name of N-(3-azidopropyl)-3-phenylpropanamide (CID 61344003) is N-(3-azidopropyl)-3-phenylpropanamide.
What is the SMILES notation for N-(3-azidopropyl)-3-phenylpropanamide?
The canonical SMILES for N-(3-azidopropyl)-3-phenylpropanamide is [N-]=[N+]=NCCCNC(=O)CCc1ccccc1.
What is the InChIKey of N-(3-azidopropyl)-3-phenylpropanamide?
The InChIKey is WFZWLOBHCFFCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c13-16-15-10-4-9-14-12(17)8-7-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,14,17).
What are the key properties of N-(3-azidopropyl)-3-phenylpropanamide?
N-(3-azidopropyl)-3-phenylpropanamide has a molecular weight of 232.29 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azidopropyl)-3-phenylpropanamide is sourced from PubChem (CID 61344003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).