tert-butyl N-[7-(3-hydroxypropyl)benzotriazol-1-yl]carbamate

C14H20N4O3 — CID 15399142

IUPACtert-butyl N-[7-(3-hydroxypropyl)benzotriazol-1-yl]carbamate
SMILESCC(C)(C)OC(=O)Nn1nnc2cccc(CCCO)c21
InChIInChI=1S/C14H20N4O3/c1-14(2,3)21-13(20)16-18-12-10(7-5-9-19)6-4-8-11(12)15-17-18/h4,6,8,19H,5,7,9H2,1-3H3,(H,16,20)
InChIKeyVLCMDQDGCGKINI-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.83
Rot. Bonds4

About tert-butyl N-[7-(3-hydroxypropyl)benzotriazol-1-yl]carbamate

tert-butyl N-[7-(3-hydroxypropyl)benzotriazol-1-yl]carbamate (PubChem CID 15399142) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is tert-butyl N-[7-(3-hydroxypropyl)benzotriazol-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[7-(3-hydroxypropyl)benzotriazol-1-yl]carbamate
PubChem CID15399142
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Nametert-butyl N-[7-(3-hydroxypropyl)benzotriazol-1-yl]carbamate
SMILESCC(C)(C)OC(=O)Nn1nnc2cccc(CCCO)c21
InChIInChI=1S/C14H20N4O3/c1-14(2,3)21-13(20)16-18-12-10(7-5-9-19)6-4-8-11(12)15-17-18/h4,6,8,19H,5,7,9H2,1-3H3,(H,16,20)
InChIKeyVLCMDQDGCGKINI-UHFFFAOYSA-N
XLogP1.83
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[7-(3-hydroxypropyl)benzotriazol-1-yl]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

tert-butyl N-[7-(3,4-dihydroxy-3-methylbutyl)benzotriazol-1-yl]carbamate
CID 15399144
tert-butyl N-[7-[(E)-1-hydroxyhex-2-enyl]benzotriazol-1-yl]carbamate
CID 11142156
tert-butyl N-[2-(3-hydroxypropyl)phenyl]carbamate
CID 23021010
tert-butyl N-[2-[2-(2-hydroxyethyl)phenyl]ethyl]carbamate
CID 141182923
tert-butyl N-[6-(2-hydroxyethyl)-2-pyridinyl]carbamate
CID 22347558
tert-butyl N-[3-[2-(2-hydroxyethylamino)phenyl]propyl]carbamate
CID 123143474
4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]quinoline-2-carboxylic acid
CID 157399195
tert-butyl 7-(hydroxymethyl)-2-methylbenzimidazole-1-carboxylate
CID 126676203
tert-butyl 4-[2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-4-oxo-3-phenylquinazolin-5-yl]butanoate
CID 118677919
tert-butyl N-(acridin-4-ylmethyl)carbamate
CID 154037573
tert-butyl N-[3-(1H-benzimidazol-2-ylamino)propyl]carbamate
CID 15425062
tert-butyl N-(2-butylimidazo[4,5-c]quinolin-1-yl)carbamate
CID 21075818

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[7-(3-hydroxypropyl)benzotriazol-1-yl]carbamate?
The IUPAC name of tert-butyl N-[7-(3-hydroxypropyl)benzotriazol-1-yl]carbamate (CID 15399142) is tert-butyl N-[7-(3-hydroxypropyl)benzotriazol-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[7-(3-hydroxypropyl)benzotriazol-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[7-(3-hydroxypropyl)benzotriazol-1-yl]carbamate is CC(C)(C)OC(=O)Nn1nnc2cccc(CCCO)c21.
What is the InChIKey of tert-butyl N-[7-(3-hydroxypropyl)benzotriazol-1-yl]carbamate?
The InChIKey is VLCMDQDGCGKINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-14(2,3)21-13(20)16-18-12-10(7-5-9-19)6-4-8-11(12)15-17-18/h4,6,8,19H,5,7,9H2,1-3H3,(H,16,20).
What are the key properties of tert-butyl N-[7-(3-hydroxypropyl)benzotriazol-1-yl]carbamate?
tert-butyl N-[7-(3-hydroxypropyl)benzotriazol-1-yl]carbamate has a molecular weight of 292.34 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[7-(3-hydroxypropyl)benzotriazol-1-yl]carbamate is sourced from PubChem (CID 15399142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).