N-(2,6-dimethylheptan-4-yl)-3-(1,2,4-triazol-1-yl)propanamide

C14H26N4O — CID 71933440

IUPACN-(2,6-dimethylheptan-4-yl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C)CC(CC(C)C)NC(=O)CCn1cncn1
InChIInChI=1S/C14H26N4O/c1-11(2)7-13(8-12(3)4)17-14(19)5-6-18-10-15-9-16-18/h9-13H,5-8H2,1-4H3,(H,17,19)
InChIKeyINEVYNQJGBTBPH-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.25
Rot. Bonds8

About N-(2,6-dimethylheptan-4-yl)-3-(1,2,4-triazol-1-yl)propanamide

N-(2,6-dimethylheptan-4-yl)-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 71933440) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N-(2,6-dimethylheptan-4-yl)-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2,6-dimethylheptan-4-yl)-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID71933440
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN-(2,6-dimethylheptan-4-yl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C)CC(CC(C)C)NC(=O)CCn1cncn1
InChIInChI=1S/C14H26N4O/c1-11(2)7-13(8-12(3)4)17-14(19)5-6-18-10-15-9-16-18/h9-13H,5-8H2,1-4H3,(H,17,19)
InChIKeyINEVYNQJGBTBPH-UHFFFAOYSA-N
XLogP2.25
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylheptan-4-yl)-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(2,6-dimethylheptan-4-yl)-3-(1,2,4-triazol-1-yl)propanamide (CID 71933440) is N-(2,6-dimethylheptan-4-yl)-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(2,6-dimethylheptan-4-yl)-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(2,6-dimethylheptan-4-yl)-3-(1,2,4-triazol-1-yl)propanamide is CC(C)CC(CC(C)C)NC(=O)CCn1cncn1.
What is the InChIKey of N-(2,6-dimethylheptan-4-yl)-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is INEVYNQJGBTBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-11(2)7-13(8-12(3)4)17-14(19)5-6-18-10-15-9-16-18/h9-13H,5-8H2,1-4H3,(H,17,19).
What are the key properties of N-(2,6-dimethylheptan-4-yl)-3-(1,2,4-triazol-1-yl)propanamide?
N-(2,6-dimethylheptan-4-yl)-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 266.39 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylheptan-4-yl)-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 71933440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).