N-(3-azidopropyl)-3-(4-methylphenyl)propanamide

C13H18N4O — CID 62503312

IUPACN-(3-azidopropyl)-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NCCCN=[N+]=[N-])cc1
InChIInChI=1S/C13H18N4O/c1-11-3-5-12(6-4-11)7-8-13(18)15-9-2-10-16-17-14/h3-6H,2,7-10H2,1H3,(H,15,18)
InChIKeyXCMLIGGBDPQCBI-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.74
Rot. Bonds7

About N-(3-azidopropyl)-3-(4-methylphenyl)propanamide

N-(3-azidopropyl)-3-(4-methylphenyl)propanamide (PubChem CID 62503312) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(3-azidopropyl)-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(3-azidopropyl)-3-(4-methylphenyl)propanamide
PubChem CID62503312
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-(3-azidopropyl)-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NCCCN=[N+]=[N-])cc1
InChIInChI=1S/C13H18N4O/c1-11-3-5-12(6-4-11)7-8-13(18)15-9-2-10-16-17-14/h3-6H,2,7-10H2,1H3,(H,15,18)
InChIKeyXCMLIGGBDPQCBI-UHFFFAOYSA-N
XLogP2.74
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.74
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
N-(4-chlorobutyl)-3-(4-methylphenyl)propanamide
CID 106845485
7-[3-(4-methylphenyl)propanoylamino]heptanoic acid
CID 43359020
N-[3-(dimethylamino)propyl]-3-(4-methylphenyl)propanamide
CID 110755343
N-(6-iodohexyl)-3-(4-methylphenyl)propanamide
CID 107848485
N-(4-azidobutyl)-4-phenylbutanamide
CID 114182194
N-(3-cyanopropyl)-3-(4-methylphenyl)propanamide
CID 55102075
3-(4-methylphenyl)-N-(3-sulfamoylpropyl)propanamide
CID 55070556
N-(4-cyanobutyl)-3-(4-methylphenyl)propanamide
CID 63284353
N-(2-methoxyethyl)-3-(4-methylphenyl)propanamide
CID 19220427
3-(4-methylphenyl)-N-(3-phenoxypropyl)propanamide
CID 10803968
N-[2-(dimethylcarbamoylamino)ethyl]-3-(4-methylphenyl)propanamide
CID 108574246

Frequently Asked Questions

What is the IUPAC name of N-(3-azidopropyl)-3-(4-methylphenyl)propanamide?
The IUPAC name of N-(3-azidopropyl)-3-(4-methylphenyl)propanamide (CID 62503312) is N-(3-azidopropyl)-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-(3-azidopropyl)-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-(3-azidopropyl)-3-(4-methylphenyl)propanamide is Cc1ccc(CCC(=O)NCCCN=[N+]=[N-])cc1.
What is the InChIKey of N-(3-azidopropyl)-3-(4-methylphenyl)propanamide?
The InChIKey is XCMLIGGBDPQCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-11-3-5-12(6-4-11)7-8-13(18)15-9-2-10-16-17-14/h3-6H,2,7-10H2,1H3,(H,15,18).
What are the key properties of N-(3-azidopropyl)-3-(4-methylphenyl)propanamide?
N-(3-azidopropyl)-3-(4-methylphenyl)propanamide has a molecular weight of 246.31 g/mol, XLogP of 2.74, 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-(4-methylphenyl)propanamide is sourced from PubChem (CID 62503312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).