tert-butyl N-[4-[[2-(benzotriazol-1-yloxy)acetyl]amino]butyl]carbamate

C17H25N5O4 — CID 134139676

IUPACtert-butyl N-[4-[[2-(benzotriazol-1-yloxy)acetyl]amino]butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCNC(=O)COn1nnc2ccccc21
InChIInChI=1S/C17H25N5O4/c1-17(2,3)26-16(24)19-11-7-6-10-18-15(23)12-25-22-14-9-5-4-8-13(14)20-21-22/h4-5,8-9H,6-7,10-12H2,1-3H3,(H,18,23)(H,19,24)
InChIKeyGRWOEVMIBGUWAY-UHFFFAOYSA-N
MW363.42 g/mol
LogP1.28
Rot. Bonds8

About tert-butyl N-[4-[[2-(benzotriazol-1-yloxy)acetyl]amino]butyl]carbamate

tert-butyl N-[4-[[2-(benzotriazol-1-yloxy)acetyl]amino]butyl]carbamate (PubChem CID 134139676) has the molecular formula C17H25N5O4 and a molecular weight of 363.42 g/mol. Its IUPAC name is tert-butyl N-[4-[[2-(benzotriazol-1-yloxy)acetyl]amino]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[2-(benzotriazol-1-yloxy)acetyl]amino]butyl]carbamate
PubChem CID134139676
Molecular FormulaC17H25N5O4
Molecular Weight363.42 g/mol
Exact Mass363.19
IUPAC Nametert-butyl N-[4-[[2-(benzotriazol-1-yloxy)acetyl]amino]butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCNC(=O)COn1nnc2ccccc21
InChIInChI=1S/C17H25N5O4/c1-17(2,3)26-16(24)19-11-7-6-10-18-15(23)12-25-22-14-9-5-4-8-13(14)20-21-22/h4-5,8-9H,6-7,10-12H2,1-3H3,(H,18,23)(H,19,24)
InChIKeyGRWOEVMIBGUWAY-UHFFFAOYSA-N
XLogP1.28
TPSA107.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[2-(benzotriazol-1-yloxy)acetyl]amino]butyl]carbamate?
The IUPAC name of tert-butyl N-[4-[[2-(benzotriazol-1-yloxy)acetyl]amino]butyl]carbamate (CID 134139676) is tert-butyl N-[4-[[2-(benzotriazol-1-yloxy)acetyl]amino]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[[2-(benzotriazol-1-yloxy)acetyl]amino]butyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[[2-(benzotriazol-1-yloxy)acetyl]amino]butyl]carbamate is CC(C)(C)OC(=O)NCCCCNC(=O)COn1nnc2ccccc21.
What is the InChIKey of tert-butyl N-[4-[[2-(benzotriazol-1-yloxy)acetyl]amino]butyl]carbamate?
The InChIKey is GRWOEVMIBGUWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O4/c1-17(2,3)26-16(24)19-11-7-6-10-18-15(23)12-25-22-14-9-5-4-8-13(14)20-21-22/h4-5,8-9H,6-7,10-12H2,1-3H3,(H,18,23)(H,19,24).
What are the key properties of tert-butyl N-[4-[[2-(benzotriazol-1-yloxy)acetyl]amino]butyl]carbamate?
tert-butyl N-[4-[[2-(benzotriazol-1-yloxy)acetyl]amino]butyl]carbamate has a molecular weight of 363.42 g/mol, XLogP of 1.28, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[[2-(benzotriazol-1-yloxy)acetyl]amino]butyl]carbamate is sourced from PubChem (CID 134139676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).