2-[(1-benzyltriazol-4-yl)carbamoylamino]-N-cyclohexylacetamide

C18H24N6O2 — CID 99793964

IUPAC2-[(1-benzyltriazol-4-yl)carbamoylamino]-N-cyclohexylacetamide
SMILESO=C(CNC(=O)Nc1cn(Cc2ccccc2)nn1)NC1CCCCC1
InChIInChI=1S/C18H24N6O2/c25-17(20-15-9-5-2-6-10-15)11-19-18(26)21-16-13-24(23-22-16)12-14-7-3-1-4-8-14/h1,3-4,7-8,13,15H,2,5-6,9-12H2,(H,20,25)(H2,19,21,26)
InChIKeyMGIIJSHZMNLSFL-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.90
Rot. Bonds6

About 2-[(1-benzyltriazol-4-yl)carbamoylamino]-N-cyclohexylacetamide

2-[(1-benzyltriazol-4-yl)carbamoylamino]-N-cyclohexylacetamide (PubChem CID 99793964) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-[(1-benzyltriazol-4-yl)carbamoylamino]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[(1-benzyltriazol-4-yl)carbamoylamino]-N-cyclohexylacetamide
PubChem CID99793964
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name2-[(1-benzyltriazol-4-yl)carbamoylamino]-N-cyclohexylacetamide
SMILESO=C(CNC(=O)Nc1cn(Cc2ccccc2)nn1)NC1CCCCC1
InChIInChI=1S/C18H24N6O2/c25-17(20-15-9-5-2-6-10-15)11-19-18(26)21-16-13-24(23-22-16)12-14-7-3-1-4-8-14/h1,3-4,7-8,13,15H,2,5-6,9-12H2,(H,20,25)(H2,19,21,26)
InChIKeyMGIIJSHZMNLSFL-UHFFFAOYSA-N
XLogP1.90
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[[6-[[(2S)-1-amino-6-azido-1-oxohexan-2-yl]amino]-6-oxohexyl]amino]-2-oxoethyl]-N-benzyl-1-(triazole-1-carbonyl)piperidine-4-carboxamide
CID 162643152
N,3-dibenzyltriazol-4-amine
CID 13377283
2-[4-[benzyl(methyl)amino]-6-oxo-1(6H)-pyridazinyl]-N-(1-ethyl-1H-1,2,3-triazol-4-yl)acetamide
CID 28980037
N-(1-ethyl-1H-1,2,3-triazol-4-yl)-N'-[4-(2-oxopyrrolidin-1-yl)benzyl]urea
CID 118794669
1-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-3-(1-methyltriazol-4-yl)urea
CID 137994372
(2R)-N-(3-methyltriazol-4-yl)-5-oxo-2-phenylpiperazine-1-carboxamide
CID 164629630
(3S)-3-methyl-N-(3-methyltriazol-4-yl)-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxamide
CID 164630802
(2S)-N-(1-benzyltriazol-4-yl)-2-(difluoromethyl)piperidine-1-carboxamide
CID 171359790
N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]formamide
CID 90192786
(2R)-2-amino-N-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-hydroxypropanamide
CID 122441026
N-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]acetamide
CID 122441027
(2S)-2-amino-N-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-3-methoxypropanamide
CID 122441036

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzyltriazol-4-yl)carbamoylamino]-N-cyclohexylacetamide?
The IUPAC name of 2-[(1-benzyltriazol-4-yl)carbamoylamino]-N-cyclohexylacetamide (CID 99793964) is 2-[(1-benzyltriazol-4-yl)carbamoylamino]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[(1-benzyltriazol-4-yl)carbamoylamino]-N-cyclohexylacetamide?
The canonical SMILES for 2-[(1-benzyltriazol-4-yl)carbamoylamino]-N-cyclohexylacetamide is O=C(CNC(=O)Nc1cn(Cc2ccccc2)nn1)NC1CCCCC1.
What is the InChIKey of 2-[(1-benzyltriazol-4-yl)carbamoylamino]-N-cyclohexylacetamide?
The InChIKey is MGIIJSHZMNLSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c25-17(20-15-9-5-2-6-10-15)11-19-18(26)21-16-13-24(23-22-16)12-14-7-3-1-4-8-14/h1,3-4,7-8,13,15H,2,5-6,9-12H2,(H,20,25)(H2,19,21,26).
What are the key properties of 2-[(1-benzyltriazol-4-yl)carbamoylamino]-N-cyclohexylacetamide?
2-[(1-benzyltriazol-4-yl)carbamoylamino]-N-cyclohexylacetamide has a molecular weight of 356.43 g/mol, XLogP of 1.90, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzyltriazol-4-yl)carbamoylamino]-N-cyclohexylacetamide is sourced from PubChem (CID 99793964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).