benzyl N-[2-(benzotriazol-1-yl)-2-oxoethyl]carbamate

C16H14N4O3 — CID 26793272

IUPACbenzyl N-[2-(benzotriazol-1-yl)-2-oxoethyl]carbamate
SMILESO=C(NCC(=O)n1nnc2ccccc21)OCc1ccccc1
InChIInChI=1S/C16H14N4O3/c21-15(20-14-9-5-4-8-13(14)18-19-20)10-17-16(22)23-11-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,22)
InChIKeyGXIYFGDLDAFXEF-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.00
Rot. Bonds4

About benzyl N-[2-(benzotriazol-1-yl)-2-oxoethyl]carbamate

benzyl N-[2-(benzotriazol-1-yl)-2-oxoethyl]carbamate (PubChem CID 26793272) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is benzyl N-[2-(benzotriazol-1-yl)-2-oxoethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(benzotriazol-1-yl)-2-oxoethyl]carbamate
PubChem CID26793272
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC Namebenzyl N-[2-(benzotriazol-1-yl)-2-oxoethyl]carbamate
SMILESO=C(NCC(=O)n1nnc2ccccc21)OCc1ccccc1
InChIInChI=1S/C16H14N4O3/c21-15(20-14-9-5-4-8-13(14)18-19-20)10-17-16(22)23-11-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,22)
InChIKeyGXIYFGDLDAFXEF-UHFFFAOYSA-N
XLogP2.00
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze benzyl N-[2-(benzotriazol-1-yl)-2-oxoethyl]carbamate 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

Benzotriazol-1-YL-acetic acid benzyl ester
CID 854230
Z-Phe-Bt
CID 12995544
3-[[2-(1-Benzotriazolyl)-1-oxoethyl]amino]benzoic acid methyl ester
CID 645762
1-(Benzyloxycarbonyl)benzotriazole
CID 357512
N-alpha-Benzyloxycarbonyl-L-alanine (1H-benzo[d][1,2,3]triazol-1-yl) ester
CID 12990545
benzyl N-[(2S)-1-[[(2S)-1-(benzotriazol-1-yl)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 12990546
benzyl N-[1-[[1-(benzotriazol-1-yloxy)-2-oxopentan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 22923228
benzyl N-[1-[[4-(benzotriazol-1-yl)-3-oxo-1-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 44314290
benzyl N-[1-[[1-(benzotriazol-1-yloxy)-4-methyl-2-oxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 44314565
benzyl N-[(2S)-1-[[2-(benzotriazol-1-yl)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 71606135
1-(Ethoxyphenylmethyl)-1H-benzotriazole
CID 3729020
Fmoc-Gly-Bt, 97%
CID 39846433

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(benzotriazol-1-yl)-2-oxoethyl]carbamate?
The IUPAC name of benzyl N-[2-(benzotriazol-1-yl)-2-oxoethyl]carbamate (CID 26793272) is benzyl N-[2-(benzotriazol-1-yl)-2-oxoethyl]carbamate.
What is the SMILES notation for benzyl N-[2-(benzotriazol-1-yl)-2-oxoethyl]carbamate?
The canonical SMILES for benzyl N-[2-(benzotriazol-1-yl)-2-oxoethyl]carbamate is O=C(NCC(=O)n1nnc2ccccc21)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-(benzotriazol-1-yl)-2-oxoethyl]carbamate?
The InChIKey is GXIYFGDLDAFXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c21-15(20-14-9-5-4-8-13(14)18-19-20)10-17-16(22)23-11-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,22).
What are the key properties of benzyl N-[2-(benzotriazol-1-yl)-2-oxoethyl]carbamate?
benzyl N-[2-(benzotriazol-1-yl)-2-oxoethyl]carbamate has a molecular weight of 310.31 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(benzotriazol-1-yl)-2-oxoethyl]carbamate is sourced from PubChem (CID 26793272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).