N-(5-phenyl-2H-triazol-4-yl)heptanamide

C15H20N4O — CID 101432719

IUPACN-(5-phenyl-2H-triazol-4-yl)heptanamide
SMILESCCCCCCC(=O)Nc1n[nH]nc1-c1ccccc1
InChIInChI=1S/C15H20N4O/c1-2-3-4-8-11-13(20)16-15-14(17-19-18-15)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3,(H2,16,17,18,19,20)
InChIKeyGGQRDVYSKGSZLW-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.38
Rot. Bonds7

About N-(5-phenyl-2H-triazol-4-yl)heptanamide

N-(5-phenyl-2H-triazol-4-yl)heptanamide (PubChem CID 101432719) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(5-phenyl-2H-triazol-4-yl)heptanamide.

Molecular Properties

Compound NameN-(5-phenyl-2H-triazol-4-yl)heptanamide
PubChem CID101432719
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-(5-phenyl-2H-triazol-4-yl)heptanamide
SMILESCCCCCCC(=O)Nc1n[nH]nc1-c1ccccc1
InChIInChI=1S/C15H20N4O/c1-2-3-4-8-11-13(20)16-15-14(17-19-18-15)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3,(H2,16,17,18,19,20)
InChIKeyGGQRDVYSKGSZLW-UHFFFAOYSA-N
XLogP3.38
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-phenylpentacosanamide
CID 19025260
N-phenylheptatetracontanamide
CID 150503307
N-(2,5-diphenyltriazol-4-yl)pentanamide
CID 101457344
N-[5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1H-imidazol-4-yl]heptanamide
CID 135427271
N-(6-octoxy-3-phenylpyridazin-4-yl)heptanamide
CID 70534386
N-(2-hydroxy-5-phenylphenyl)octanamide
CID 155558351
N-[6-(undecanoylamino)-2-pyridinyl]dodecanamide
CID 101442784
N-[6-(tridecanoylamino)-2-pyridinyl]tridecanamide
CID 11038419
5-oxo-N-phenylheptadecanamide
CID 3308902
formamide;N-phenylheptanamide
CID 143464966
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
1,1'-biphenyl;heptadecan-9-one
CID 19613965

Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-2H-triazol-4-yl)heptanamide?
The IUPAC name of N-(5-phenyl-2H-triazol-4-yl)heptanamide (CID 101432719) is N-(5-phenyl-2H-triazol-4-yl)heptanamide.
What is the SMILES notation for N-(5-phenyl-2H-triazol-4-yl)heptanamide?
The canonical SMILES for N-(5-phenyl-2H-triazol-4-yl)heptanamide is CCCCCCC(=O)Nc1n[nH]nc1-c1ccccc1.
What is the InChIKey of N-(5-phenyl-2H-triazol-4-yl)heptanamide?
The InChIKey is GGQRDVYSKGSZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-3-4-8-11-13(20)16-15-14(17-19-18-15)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3,(H2,16,17,18,19,20).
What are the key properties of N-(5-phenyl-2H-triazol-4-yl)heptanamide?
N-(5-phenyl-2H-triazol-4-yl)heptanamide has a molecular weight of 272.35 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-2H-triazol-4-yl)heptanamide is sourced from PubChem (CID 101432719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).