[2-(cyclohexylmethylamino)-2-oxoethyl] 1-benzyltriazole-4-carboxylate

C19H24N4O3 — CID 55516705

IUPAC[2-(cyclohexylmethylamino)-2-oxoethyl] 1-benzyltriazole-4-carboxylate
SMILESO=C(COC(=O)c1cn(Cc2ccccc2)nn1)NCC1CCCCC1
InChIInChI=1S/C19H24N4O3/c24-18(20-11-15-7-3-1-4-8-15)14-26-19(25)17-13-23(22-21-17)12-16-9-5-2-6-10-16/h2,5-6,9-10,13,15H,1,3-4,7-8,11-12,14H2,(H,20,24)
InChIKeyIBLUWKCDCCOWLY-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.18
Rot. Bonds7

About [2-(cyclohexylmethylamino)-2-oxoethyl] 1-benzyltriazole-4-carboxylate

[2-(cyclohexylmethylamino)-2-oxoethyl] 1-benzyltriazole-4-carboxylate (PubChem CID 55516705) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is [2-(cyclohexylmethylamino)-2-oxoethyl] 1-benzyltriazole-4-carboxylate.

Molecular Properties

Compound Name[2-(cyclohexylmethylamino)-2-oxoethyl] 1-benzyltriazole-4-carboxylate
PubChem CID55516705
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name[2-(cyclohexylmethylamino)-2-oxoethyl] 1-benzyltriazole-4-carboxylate
SMILESO=C(COC(=O)c1cn(Cc2ccccc2)nn1)NCC1CCCCC1
InChIInChI=1S/C19H24N4O3/c24-18(20-11-15-7-3-1-4-8-15)14-26-19(25)17-13-23(22-21-17)12-16-9-5-2-6-10-16/h2,5-6,9-10,13,15H,1,3-4,7-8,11-12,14H2,(H,20,24)
InChIKeyIBLUWKCDCCOWLY-UHFFFAOYSA-N
XLogP2.18
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoethyl] 1-benzyltriazole-4-carboxylate
CID 55640773
2-oxopropyl 1-benzyltriazole-4-carboxylate
CID 55640927
[2-(4-ethylanilino)-2-oxoethyl] 1-benzyltriazole-4-carboxylate
CID 55640770
(1-benzyltriazol-4-yl)-cyclohexylmethanone
CID 71763813
methyl 1-[2-(1-benzyltriazole-4-carbonyl)oxyacetyl]piperidine-4-carboxylate
CID 55640680
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-phenylacetate
CID 55319435
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 1-benzyltriazole-4-carboxylate
CID 55640676
[2-(diethylamino)-2-oxoethyl] 1-benzyltriazole-4-carboxylate
CID 55516472
cyanomethyl 1-benzyltriazole-4-carboxylate
CID 31027649
2-(4-benzylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide
CID 31127901
N-(cycloheptylmethyl)-2-phenylacetamide
CID 54313529
(3-methylcyclohexyl) 1-benzyltriazole-4-carboxylate
CID 78839377

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylmethylamino)-2-oxoethyl] 1-benzyltriazole-4-carboxylate?
The IUPAC name of [2-(cyclohexylmethylamino)-2-oxoethyl] 1-benzyltriazole-4-carboxylate (CID 55516705) is [2-(cyclohexylmethylamino)-2-oxoethyl] 1-benzyltriazole-4-carboxylate.
What is the SMILES notation for [2-(cyclohexylmethylamino)-2-oxoethyl] 1-benzyltriazole-4-carboxylate?
The canonical SMILES for [2-(cyclohexylmethylamino)-2-oxoethyl] 1-benzyltriazole-4-carboxylate is O=C(COC(=O)c1cn(Cc2ccccc2)nn1)NCC1CCCCC1.
What is the InChIKey of [2-(cyclohexylmethylamino)-2-oxoethyl] 1-benzyltriazole-4-carboxylate?
The InChIKey is IBLUWKCDCCOWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c24-18(20-11-15-7-3-1-4-8-15)14-26-19(25)17-13-23(22-21-17)12-16-9-5-2-6-10-16/h2,5-6,9-10,13,15H,1,3-4,7-8,11-12,14H2,(H,20,24).
What are the key properties of [2-(cyclohexylmethylamino)-2-oxoethyl] 1-benzyltriazole-4-carboxylate?
[2-(cyclohexylmethylamino)-2-oxoethyl] 1-benzyltriazole-4-carboxylate has a molecular weight of 356.43 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylmethylamino)-2-oxoethyl] 1-benzyltriazole-4-carboxylate is sourced from PubChem (CID 55516705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).