2-propyl-N-[2-(1,2,4-triazol-1-yl)ethyl]octanamide

C15H28N4O — CID 146509984

IUPAC2-propyl-N-[2-(1,2,4-triazol-1-yl)ethyl]octanamide
SMILESCCCCCCC(CCC)C(=O)NCCn1cncn1
InChIInChI=1S/C15H28N4O/c1-3-5-6-7-9-14(8-4-2)15(20)17-10-11-19-13-16-12-18-19/h12-14H,3-11H2,1-2H3,(H,17,20)
InChIKeyQYMCLKMIHYPBEM-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.78
Rot. Bonds11

About 2-propyl-N-[2-(1,2,4-triazol-1-yl)ethyl]octanamide

2-propyl-N-[2-(1,2,4-triazol-1-yl)ethyl]octanamide (PubChem CID 146509984) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-propyl-N-[2-(1,2,4-triazol-1-yl)ethyl]octanamide.

Molecular Properties

Compound Name2-propyl-N-[2-(1,2,4-triazol-1-yl)ethyl]octanamide
PubChem CID146509984
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name2-propyl-N-[2-(1,2,4-triazol-1-yl)ethyl]octanamide
SMILESCCCCCCC(CCC)C(=O)NCCn1cncn1
InChIInChI=1S/C15H28N4O/c1-3-5-6-7-9-14(8-4-2)15(20)17-10-11-19-13-16-12-18-19/h12-14H,3-11H2,1-2H3,(H,17,20)
InChIKeyQYMCLKMIHYPBEM-UHFFFAOYSA-N
XLogP2.78
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpropyl)-2-[1-(1H-tetrazol-1-ylmethyl)cyclohexyl]acetamide
CID 45492212
trans-N-pentyl-4-(1H-tetrazol-1-ylmethyl)cyclohexanecarboxamide
CID 49654807
N-[3-(1,2,4-triazol-1-yl)propyl]cyclopentanecarboxamide
CID 51079283
N-[(4-ethylcyclohexyl)methyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 51094230
3-cyclopentyl-N-(2-methyl-1,2,4-triazol-3-yl)propanamide
CID 71917339
N-(2,6-dimethylheptan-4-yl)-3-(1,2,4-triazol-1-yl)propanamide
CID 71933440
N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 75454112
N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 86824349
N-(4-methylcyclohexyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 42947733
N-isobutyl-1-(1H-tetrazol-1-yl)cyclohexanecarboxamide
CID 45494045
trans-(1S,3S)-2,2,3-trimethyl-3-[3-(1,2,4-triazol-1-yl)propyl]cyclopentane-1-carboxamide
CID 57518701
(1S)-2,2-dimethyl-3-[3-(1,2,4-triazol-1-yl)propyl]cyclopentane-1-carboxamide
CID 130315544

Frequently Asked Questions

What is the IUPAC name of 2-propyl-N-[2-(1,2,4-triazol-1-yl)ethyl]octanamide?
The IUPAC name of 2-propyl-N-[2-(1,2,4-triazol-1-yl)ethyl]octanamide (CID 146509984) is 2-propyl-N-[2-(1,2,4-triazol-1-yl)ethyl]octanamide.
What is the SMILES notation for 2-propyl-N-[2-(1,2,4-triazol-1-yl)ethyl]octanamide?
The canonical SMILES for 2-propyl-N-[2-(1,2,4-triazol-1-yl)ethyl]octanamide is CCCCCCC(CCC)C(=O)NCCn1cncn1.
What is the InChIKey of 2-propyl-N-[2-(1,2,4-triazol-1-yl)ethyl]octanamide?
The InChIKey is QYMCLKMIHYPBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-3-5-6-7-9-14(8-4-2)15(20)17-10-11-19-13-16-12-18-19/h12-14H,3-11H2,1-2H3,(H,17,20).
What are the key properties of 2-propyl-N-[2-(1,2,4-triazol-1-yl)ethyl]octanamide?
2-propyl-N-[2-(1,2,4-triazol-1-yl)ethyl]octanamide has a molecular weight of 280.42 g/mol, XLogP of 2.78, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-N-[2-(1,2,4-triazol-1-yl)ethyl]octanamide is sourced from PubChem (CID 146509984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).