benzyl N-[benzoyl(tert-butyl)amino]carbamate

C19H22N2O3 — CID 682784

IUPACbenzyl N-[benzoyl(tert-butyl)amino]carbamate
SMILESCC(C)(C)N(NC(=O)OCc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C19H22N2O3/c1-19(2,3)21(17(22)16-12-8-5-9-13-16)20-18(23)24-14-15-10-6-4-7-11-15/h4-13H,14H2,1-3H3,(H,20,23)
InChIKeyYPQUTWQUWGUELA-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.77
Rot. Bonds3

About benzyl N-[benzoyl(tert-butyl)amino]carbamate

benzyl N-[benzoyl(tert-butyl)amino]carbamate (PubChem CID 682784) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is benzyl N-[benzoyl(tert-butyl)amino]carbamate.

Molecular Properties

Compound Namebenzyl N-[benzoyl(tert-butyl)amino]carbamate
PubChem CID682784
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Namebenzyl N-[benzoyl(tert-butyl)amino]carbamate
SMILESCC(C)(C)N(NC(=O)OCc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C19H22N2O3/c1-19(2,3)21(17(22)16-12-8-5-9-13-16)20-18(23)24-14-15-10-6-4-7-11-15/h4-13H,14H2,1-3H3,(H,20,23)
InChIKeyYPQUTWQUWGUELA-UHFFFAOYSA-N
XLogP3.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze benzyl N-[benzoyl(tert-butyl)amino]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl N-[benzoyl(tert-butyl)amino]carbamate?
The IUPAC name of benzyl N-[benzoyl(tert-butyl)amino]carbamate (CID 682784) is benzyl N-[benzoyl(tert-butyl)amino]carbamate.
What is the SMILES notation for benzyl N-[benzoyl(tert-butyl)amino]carbamate?
The canonical SMILES for benzyl N-[benzoyl(tert-butyl)amino]carbamate is CC(C)(C)N(NC(=O)OCc1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of benzyl N-[benzoyl(tert-butyl)amino]carbamate?
The InChIKey is YPQUTWQUWGUELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-19(2,3)21(17(22)16-12-8-5-9-13-16)20-18(23)24-14-15-10-6-4-7-11-15/h4-13H,14H2,1-3H3,(H,20,23).
What are the key properties of benzyl N-[benzoyl(tert-butyl)amino]carbamate?
benzyl N-[benzoyl(tert-butyl)amino]carbamate has a molecular weight of 326.40 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[benzoyl(tert-butyl)amino]carbamate is sourced from PubChem (CID 682784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).