benzyl N-[4-(2-amino-2-oxoethoxy)phenyl]carbamate

C16H16N2O4 — CID 895286

IUPACbenzyl N-[4-(2-amino-2-oxoethoxy)phenyl]carbamate
SMILESNC(=O)COc1ccc(NC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C16H16N2O4/c17-15(19)11-21-14-8-6-13(7-9-14)18-16(20)22-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,17,19)(H,18,20)
InChIKeyGSVUQIPEVAGNKD-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.30
Rot. Bonds6

About benzyl N-[4-(2-amino-2-oxoethoxy)phenyl]carbamate

benzyl N-[4-(2-amino-2-oxoethoxy)phenyl]carbamate (PubChem CID 895286) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is benzyl N-[4-(2-amino-2-oxoethoxy)phenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-(2-amino-2-oxoethoxy)phenyl]carbamate
PubChem CID895286
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Namebenzyl N-[4-(2-amino-2-oxoethoxy)phenyl]carbamate
SMILESNC(=O)COc1ccc(NC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C16H16N2O4/c17-15(19)11-21-14-8-6-13(7-9-14)18-16(20)22-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,17,19)(H,18,20)
InChIKeyGSVUQIPEVAGNKD-UHFFFAOYSA-N
XLogP2.30
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze benzyl N-[4-(2-amino-2-oxoethoxy)phenyl]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-[4-(2-amino-2-oxoethoxy)phenyl]carbamate?
The IUPAC name of benzyl N-[4-(2-amino-2-oxoethoxy)phenyl]carbamate (CID 895286) is benzyl N-[4-(2-amino-2-oxoethoxy)phenyl]carbamate.
What is the SMILES notation for benzyl N-[4-(2-amino-2-oxoethoxy)phenyl]carbamate?
The canonical SMILES for benzyl N-[4-(2-amino-2-oxoethoxy)phenyl]carbamate is NC(=O)COc1ccc(NC(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl N-[4-(2-amino-2-oxoethoxy)phenyl]carbamate?
The InChIKey is GSVUQIPEVAGNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c17-15(19)11-21-14-8-6-13(7-9-14)18-16(20)22-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,17,19)(H,18,20).
What are the key properties of benzyl N-[4-(2-amino-2-oxoethoxy)phenyl]carbamate?
benzyl N-[4-(2-amino-2-oxoethoxy)phenyl]carbamate has a molecular weight of 300.31 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-(2-amino-2-oxoethoxy)phenyl]carbamate is sourced from PubChem (CID 895286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).