benzyl N-tert-butylcarbamate

C12H17NO2 — CID 10443010

IUPACbenzyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCc1ccccc1
InChIInChI=1S/C12H17NO2/c1-12(2,3)13-11(14)15-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,13,14)
InChIKeySBHOBKRCVFDBRL-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.71
Rot. Bonds2

About benzyl N-tert-butylcarbamate

benzyl N-tert-butylcarbamate (PubChem CID 10443010) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is benzyl N-tert-butylcarbamate.

Molecular Properties

Compound Namebenzyl N-tert-butylcarbamate
PubChem CID10443010
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Namebenzyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCc1ccccc1
InChIInChI=1S/C12H17NO2/c1-12(2,3)13-11(14)15-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,13,14)
InChIKeySBHOBKRCVFDBRL-UHFFFAOYSA-N
XLogP2.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze benzyl N-tert-butylcarbamate 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

Benzyl hydroxycarbamate
CID 18907
Benzyl Cyanomethylcarbamate
CID 244143
Benzyl carbamate
CID 12136
Benzyl (2-oxopropyl)carbamate
CID 22747857
benzyl N-(2-hydroxyethyl)carbamate
CID 280458
benzyl N-methylcarbamate
CID 562265
benzyl N-(2-bromoethyl)carbamate
CID 278694
N-((Benzyloxy)carbonyl)-2-methylalanine
CID 294936
benzyl N-((2S)-1-hydroxypropan-2-yl)carbamate
CID 10262499
benzyl N-((2S)-1-hydroxybutan-2-yl)carbamate
CID 10263004
Benzyl (benzyloxy)carbamate
CID 13417381
Benzyl dimethylcarbamate
CID 12963450

Frequently Asked Questions

What is the IUPAC name of benzyl N-tert-butylcarbamate?
The IUPAC name of benzyl N-tert-butylcarbamate (CID 10443010) is benzyl N-tert-butylcarbamate.
What is the SMILES notation for benzyl N-tert-butylcarbamate?
The canonical SMILES for benzyl N-tert-butylcarbamate is CC(C)(C)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-tert-butylcarbamate?
The InChIKey is SBHOBKRCVFDBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-12(2,3)13-11(14)15-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,13,14).
What are the key properties of benzyl N-tert-butylcarbamate?
benzyl N-tert-butylcarbamate has a molecular weight of 207.27 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-tert-butylcarbamate is sourced from PubChem (CID 10443010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).