[3-(ethoxycarbonylamino)phenyl] N-phenylcarbamate

C16H16N2O4 — CID 24743

IUPAC[3-(ethoxycarbonylamino)phenyl] N-phenylcarbamate
SMILESCCOC(=O)Nc1cccc(OC(=O)Nc2ccccc2)c1
InChIInChI=1S/C16H16N2O4/c1-2-21-15(19)18-13-9-6-10-14(11-13)22-16(20)17-12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,17,20)(H,18,19)
InChIKeyWZJZMXBKUWKXTQ-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.87
Rot. Bonds4

About [3-(ethoxycarbonylamino)phenyl] N-phenylcarbamate

[3-(ethoxycarbonylamino)phenyl] N-phenylcarbamate (PubChem CID 24743) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is [3-(ethoxycarbonylamino)phenyl] N-phenylcarbamate.

Molecular Properties

Compound Name[3-(ethoxycarbonylamino)phenyl] N-phenylcarbamate
PubChem CID24743
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name[3-(ethoxycarbonylamino)phenyl] N-phenylcarbamate
SMILESCCOC(=O)Nc1cccc(OC(=O)Nc2ccccc2)c1
InChIInChI=1S/C16H16N2O4/c1-2-21-15(19)18-13-9-6-10-14(11-13)22-16(20)17-12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,17,20)(H,18,19)
InChIKeyWZJZMXBKUWKXTQ-UHFFFAOYSA-N
XLogP3.87
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(ethoxycarbonylamino)phenyl] N-phenylcarbamate?
The IUPAC name of [3-(ethoxycarbonylamino)phenyl] N-phenylcarbamate (CID 24743) is [3-(ethoxycarbonylamino)phenyl] N-phenylcarbamate.
What is the SMILES notation for [3-(ethoxycarbonylamino)phenyl] N-phenylcarbamate?
The canonical SMILES for [3-(ethoxycarbonylamino)phenyl] N-phenylcarbamate is CCOC(=O)Nc1cccc(OC(=O)Nc2ccccc2)c1.
What is the InChIKey of [3-(ethoxycarbonylamino)phenyl] N-phenylcarbamate?
The InChIKey is WZJZMXBKUWKXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-2-21-15(19)18-13-9-6-10-14(11-13)22-16(20)17-12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,17,20)(H,18,19).
What are the key properties of [3-(ethoxycarbonylamino)phenyl] N-phenylcarbamate?
[3-(ethoxycarbonylamino)phenyl] N-phenylcarbamate has a molecular weight of 300.31 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(ethoxycarbonylamino)phenyl] N-phenylcarbamate is sourced from PubChem (CID 24743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).