2-(benzotriazol-1-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide

C15H20N4O — CID 8025550

IUPAC2-(benzotriazol-1-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)Cn1nnc2ccccc21
InChIInChI=1S/C15H20N4O/c1-11-6-2-3-7-12(11)16-15(20)10-19-14-9-5-4-8-13(14)17-18-19/h4-5,8-9,11-12H,2-3,6-7,10H2,1H3,(H,16,20)/t11-,12+/m1/s1
InChIKeyOVASKPBYMJUDQX-NEPJUHHUSA-N
MW272.35 g/mol
LogP2.13
Rot. Bonds3

About 2-(benzotriazol-1-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide

2-(benzotriazol-1-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide (PubChem CID 8025550) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
PubChem CID8025550
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-(benzotriazol-1-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)Cn1nnc2ccccc21
InChIInChI=1S/C15H20N4O/c1-11-6-2-3-7-12(11)16-15(20)10-19-14-9-5-4-8-13(14)17-18-19/h4-5,8-9,11-12H,2-3,6-7,10H2,1H3,(H,16,20)/t11-,12+/m1/s1
InChIKeyOVASKPBYMJUDQX-NEPJUHHUSA-N
XLogP2.13
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(benzotriazol-1-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CID 8627557
N-[(1S,2S)-2-methylcyclohexyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide
CID 27934156
N-(2-methylcyclohexyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2999724
2-(benzotriazol-1-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 18193012
2-(benzotriazol-1-yl)-1-cyclohexylethanone
CID 115579305
[2-(cyclopentylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 23908032
N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(benzotriazol-1-yl)acetamide;dihydrochloride
CID 154577752
N-[(1R,2R)-2-methylcyclohexyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
CID 92703858
2-(benzotriazol-1-yl)-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 863050
N-[(1R,2R)-2-methylcyclohexyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 857351
N-(2-methylcyclohexyl)-2-(2-methylindol-1-yl)acetamide
CID 5086759
N-[(1S,2R)-2-methylcyclohexyl]-2-(2-methylindol-1-yl)acetamide
CID 40655877

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide (CID 8025550) is 2-(benzotriazol-1-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide is C[C@@H]1CCCC[C@@H]1NC(=O)Cn1nnc2ccccc21.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide?
The InChIKey is OVASKPBYMJUDQX-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11-6-2-3-7-12(11)16-15(20)10-19-14-9-5-4-8-13(14)17-18-19/h4-5,8-9,11-12H,2-3,6-7,10H2,1H3,(H,16,20)/t11-,12+/m1/s1.
What are the key properties of 2-(benzotriazol-1-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide?
2-(benzotriazol-1-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide has a molecular weight of 272.35 g/mol, XLogP of 2.13, 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-[(1S,2R)-2-methylcyclohexyl]acetamide is sourced from PubChem (CID 8025550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).