[2-(benzylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate

C17H16N4O3 — CID 2554046

IUPAC[2-(benzylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
SMILESO=C(COC(=O)Cn1nnc2ccccc21)NCc1ccccc1
InChIInChI=1S/C17H16N4O3/c22-16(18-10-13-6-2-1-3-7-13)12-24-17(23)11-21-15-9-5-4-8-14(15)19-20-21/h1-9H,10-12H2,(H,18,22)
InChIKeyYACGZUPDWMDKGV-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.29
Rot. Bonds6

About [2-(benzylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate

[2-(benzylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate (PubChem CID 2554046) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is [2-(benzylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate.

Molecular Properties

Compound Name[2-(benzylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
PubChem CID2554046
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name[2-(benzylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
SMILESO=C(COC(=O)Cn1nnc2ccccc21)NCc1ccccc1
InChIInChI=1S/C17H16N4O3/c22-16(18-10-13-6-2-1-3-7-13)12-24-17(23)11-21-15-9-5-4-8-14(15)19-20-21/h1-9H,10-12H2,(H,18,22)
InChIKeyYACGZUPDWMDKGV-UHFFFAOYSA-N
XLogP1.29
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(cyclopentylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 23908032
[2-(benzylamino)-2-oxoethyl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
CID 4779634
[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 18205918
3-[2-(benzotriazol-1-yl)acetyl]oxypropyl 2-(benzotriazol-1-yl)acetate
CID 55567943
[2-(2-cyanoanilino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 23791724
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(benzotriazol-1-yl)acetate
CID 25037674
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 23964451
[2-(benzylamino)-2-oxoethyl] 1-ethylbenzotriazole-5-carboxylate
CID 7806129
[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 55374030
5-[[[2-(benzotriazol-1-yl)acetyl]amino]methyl]-2-methoxybenzoic acid
CID 71900117
[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 55481454
1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-(2-phenylethyl)thiourea
CID 8627449

Frequently Asked Questions

What is the IUPAC name of [2-(benzylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate?
The IUPAC name of [2-(benzylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate (CID 2554046) is [2-(benzylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate.
What is the SMILES notation for [2-(benzylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate?
The canonical SMILES for [2-(benzylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate is O=C(COC(=O)Cn1nnc2ccccc21)NCc1ccccc1.
What is the InChIKey of [2-(benzylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate?
The InChIKey is YACGZUPDWMDKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c22-16(18-10-13-6-2-1-3-7-13)12-24-17(23)11-21-15-9-5-4-8-14(15)19-20-21/h1-9H,10-12H2,(H,18,22).
What are the key properties of [2-(benzylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate?
[2-(benzylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate has a molecular weight of 324.34 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate is sourced from PubChem (CID 2554046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).