benzamido benzyl carbonate

C15H13NO4 — CID 177376014

IUPACbenzamido benzyl carbonate
SMILESO=C(OCc1ccccc1)ONC(=O)c1ccccc1
InChIInChI=1S/C15H13NO4/c17-14(13-9-5-2-6-10-13)16-20-15(18)19-11-12-7-3-1-4-8-12/h1-10H,11H2,(H,16,17)
InChIKeyKOHJNOAGHMOINK-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.68
Rot. Bonds3

About benzamido benzyl carbonate

benzamido benzyl carbonate (PubChem CID 177376014) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is benzamido benzyl carbonate.

Molecular Properties

Compound Namebenzamido benzyl carbonate
PubChem CID177376014
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Namebenzamido benzyl carbonate
SMILESO=C(OCc1ccccc1)ONC(=O)c1ccccc1
InChIInChI=1S/C15H13NO4/c17-14(13-9-5-2-6-10-13)16-20-15(18)19-11-12-7-3-1-4-8-12/h1-10H,11H2,(H,16,17)
InChIKeyKOHJNOAGHMOINK-UHFFFAOYSA-N
XLogP2.68
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze benzamido benzyl carbonate 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

CID 252925
CID 252925
CID 2366824
CID 2366824
CID 4776030
CID 4776030
CID 155529646
CID 155529646
CID 94873
CID 94873
CID 10540769
CID 10540769
CID 11356901
CID 11356901
CID 154238
CID 154238
CID 3025962
CID 3025962
CID 9227227
CID 9227227
CID 10494076
CID 10494076
CID 3025742
CID 3025742

Frequently Asked Questions

What is the IUPAC name of benzamido benzyl carbonate?
The IUPAC name of benzamido benzyl carbonate (CID 177376014) is benzamido benzyl carbonate.
What is the SMILES notation for benzamido benzyl carbonate?
The canonical SMILES for benzamido benzyl carbonate is O=C(OCc1ccccc1)ONC(=O)c1ccccc1.
What is the InChIKey of benzamido benzyl carbonate?
The InChIKey is KOHJNOAGHMOINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c17-14(13-9-5-2-6-10-13)16-20-15(18)19-11-12-7-3-1-4-8-12/h1-10H,11H2,(H,16,17).
What are the key properties of benzamido benzyl carbonate?
benzamido benzyl carbonate has a molecular weight of 271.27 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzamido benzyl carbonate is sourced from PubChem (CID 177376014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).