(Z)-N-tert-butyl-3-(1-cyclohexyltriazol-4-yl)prop-2-enamide

C15H24N4O — CID 141421813

IUPAC(Z)-N-tert-butyl-3-(1-cyclohexyltriazol-4-yl)prop-2-enamide
SMILESCC(C)(C)NC(=O)/C=C\c1cn(C2CCCCC2)nn1
InChIInChI=1S/C15H24N4O/c1-15(2,3)16-14(20)10-9-12-11-19(18-17-12)13-7-5-4-6-8-13/h9-11,13H,4-8H2,1-3H3,(H,16,20)/b10-9-
InChIKeyUKUXUJIEUYADMA-KTKRTIGZSA-N
MW276.38 g/mol
LogP2.71
Rot. Bonds3

About (Z)-N-tert-butyl-3-(1-cyclohexyltriazol-4-yl)prop-2-enamide

(Z)-N-tert-butyl-3-(1-cyclohexyltriazol-4-yl)prop-2-enamide (PubChem CID 141421813) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is (Z)-N-tert-butyl-3-(1-cyclohexyltriazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-tert-butyl-3-(1-cyclohexyltriazol-4-yl)prop-2-enamide
PubChem CID141421813
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name(Z)-N-tert-butyl-3-(1-cyclohexyltriazol-4-yl)prop-2-enamide
SMILESCC(C)(C)NC(=O)/C=C\c1cn(C2CCCCC2)nn1
InChIInChI=1S/C15H24N4O/c1-15(2,3)16-14(20)10-9-12-11-19(18-17-12)13-7-5-4-6-8-13/h9-11,13H,4-8H2,1-3H3,(H,16,20)/b10-9-
InChIKeyUKUXUJIEUYADMA-KTKRTIGZSA-N
XLogP2.71
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-tert-butyl-3-(1-cyclohexyltriazol-4-yl)prop-2-enamide?
The IUPAC name of (Z)-N-tert-butyl-3-(1-cyclohexyltriazol-4-yl)prop-2-enamide (CID 141421813) is (Z)-N-tert-butyl-3-(1-cyclohexyltriazol-4-yl)prop-2-enamide.
What is the SMILES notation for (Z)-N-tert-butyl-3-(1-cyclohexyltriazol-4-yl)prop-2-enamide?
The canonical SMILES for (Z)-N-tert-butyl-3-(1-cyclohexyltriazol-4-yl)prop-2-enamide is CC(C)(C)NC(=O)/C=C\c1cn(C2CCCCC2)nn1.
What is the InChIKey of (Z)-N-tert-butyl-3-(1-cyclohexyltriazol-4-yl)prop-2-enamide?
The InChIKey is UKUXUJIEUYADMA-KTKRTIGZSA-N. The full InChI is InChI=1S/C15H24N4O/c1-15(2,3)16-14(20)10-9-12-11-19(18-17-12)13-7-5-4-6-8-13/h9-11,13H,4-8H2,1-3H3,(H,16,20)/b10-9-.
What are the key properties of (Z)-N-tert-butyl-3-(1-cyclohexyltriazol-4-yl)prop-2-enamide?
(Z)-N-tert-butyl-3-(1-cyclohexyltriazol-4-yl)prop-2-enamide has a molecular weight of 276.38 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-tert-butyl-3-(1-cyclohexyltriazol-4-yl)prop-2-enamide is sourced from PubChem (CID 141421813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).