N-cyclohexyl-3-methyl-2-(triazol-1-yl)butanamide

C13H22N4O — CID 141219910

IUPACN-cyclohexyl-3-methyl-2-(triazol-1-yl)butanamide
SMILESCC(C)C(C(=O)NC1CCCCC1)n1ccnn1
InChIInChI=1S/C13H22N4O/c1-10(2)12(17-9-8-14-16-17)13(18)15-11-6-4-3-5-7-11/h8-12H,3-7H2,1-2H3,(H,15,18)
InChIKeyUHJVVVMDGRSOQE-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.92
Rot. Bonds4

About N-cyclohexyl-3-methyl-2-(triazol-1-yl)butanamide

N-cyclohexyl-3-methyl-2-(triazol-1-yl)butanamide (PubChem CID 141219910) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-cyclohexyl-3-methyl-2-(triazol-1-yl)butanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-methyl-2-(triazol-1-yl)butanamide
PubChem CID141219910
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-cyclohexyl-3-methyl-2-(triazol-1-yl)butanamide
SMILESCC(C)C(C(=O)NC1CCCCC1)n1ccnn1
InChIInChI=1S/C13H22N4O/c1-10(2)12(17-9-8-14-16-17)13(18)15-11-6-4-3-5-7-11/h8-12H,3-7H2,1-2H3,(H,15,18)
InChIKeyUHJVVVMDGRSOQE-UHFFFAOYSA-N
XLogP1.92
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-methyl-2-(triazol-1-yl)butanamide?
The IUPAC name of N-cyclohexyl-3-methyl-2-(triazol-1-yl)butanamide (CID 141219910) is N-cyclohexyl-3-methyl-2-(triazol-1-yl)butanamide.
What is the SMILES notation for N-cyclohexyl-3-methyl-2-(triazol-1-yl)butanamide?
The canonical SMILES for N-cyclohexyl-3-methyl-2-(triazol-1-yl)butanamide is CC(C)C(C(=O)NC1CCCCC1)n1ccnn1.
What is the InChIKey of N-cyclohexyl-3-methyl-2-(triazol-1-yl)butanamide?
The InChIKey is UHJVVVMDGRSOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10(2)12(17-9-8-14-16-17)13(18)15-11-6-4-3-5-7-11/h8-12H,3-7H2,1-2H3,(H,15,18).
What are the key properties of N-cyclohexyl-3-methyl-2-(triazol-1-yl)butanamide?
N-cyclohexyl-3-methyl-2-(triazol-1-yl)butanamide has a molecular weight of 250.35 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-methyl-2-(triazol-1-yl)butanamide is sourced from PubChem (CID 141219910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).