2-(benzotriazol-1-yl)-N-cyclohexylacetamide

C14H18N4O — CID 648490

IUPAC2-(benzotriazol-1-yl)-N-cyclohexylacetamide
SMILESO=C(Cn1nnc2ccccc21)NC1CCCCC1
InChIInChI=1S/C14H18N4O/c19-14(15-11-6-2-1-3-7-11)10-18-13-9-5-4-8-12(13)16-17-18/h4-5,8-9,11H,1-3,6-7,10H2,(H,15,19)
InChIKeyPHXPKJIGBRSNCJ-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.88
Rot. Bonds3

About 2-(benzotriazol-1-yl)-N-cyclohexylacetamide

2-(benzotriazol-1-yl)-N-cyclohexylacetamide (PubChem CID 648490) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-cyclohexylacetamide
PubChem CID648490
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-(benzotriazol-1-yl)-N-cyclohexylacetamide
SMILESO=C(Cn1nnc2ccccc21)NC1CCCCC1
InChIInChI=1S/C14H18N4O/c19-14(15-11-6-2-1-3-7-11)10-18-13-9-5-4-8-12(13)16-17-18/h4-5,8-9,11H,1-3,6-7,10H2,(H,15,19)
InChIKeyPHXPKJIGBRSNCJ-UHFFFAOYSA-N
XLogP1.88
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-cyclohexylacetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-cyclohexylacetamide (CID 648490) is 2-(benzotriazol-1-yl)-N-cyclohexylacetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-cyclohexylacetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-cyclohexylacetamide is O=C(Cn1nnc2ccccc21)NC1CCCCC1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-cyclohexylacetamide?
The InChIKey is PHXPKJIGBRSNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c19-14(15-11-6-2-1-3-7-11)10-18-13-9-5-4-8-12(13)16-17-18/h4-5,8-9,11H,1-3,6-7,10H2,(H,15,19).
What are the key properties of 2-(benzotriazol-1-yl)-N-cyclohexylacetamide?
2-(benzotriazol-1-yl)-N-cyclohexylacetamide has a molecular weight of 258.32 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-cyclohexylacetamide is sourced from PubChem (CID 648490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).