ethyl N-(3-anilinophenyl)carbamate

C15H16N2O2 — CID 620656

IUPACethyl N-(3-anilinophenyl)carbamate
SMILESCCOC(=O)Nc1cccc(Nc2ccccc2)c1
InChIInChI=1S/C15H16N2O2/c1-2-19-15(18)17-14-10-6-9-13(11-14)16-12-7-4-3-5-8-12/h3-11,16H,2H2,1H3,(H,17,18)
InChIKeyWOODPAWHQGLZAE-UHFFFAOYSA-N
MW256.31 g/mol
LogP4.00
Rot. Bonds4

About ethyl N-(3-anilinophenyl)carbamate

ethyl N-(3-anilinophenyl)carbamate (PubChem CID 620656) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is ethyl N-(3-anilinophenyl)carbamate.

Molecular Properties

Compound Nameethyl N-(3-anilinophenyl)carbamate
PubChem CID620656
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Nameethyl N-(3-anilinophenyl)carbamate
SMILESCCOC(=O)Nc1cccc(Nc2ccccc2)c1
InChIInChI=1S/C15H16N2O2/c1-2-19-15(18)17-14-10-6-9-13(11-14)16-12-7-4-3-5-8-12/h3-11,16H,2H2,1H3,(H,17,18)
InChIKeyWOODPAWHQGLZAE-UHFFFAOYSA-N
XLogP4.00
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(3-anilinophenyl)carbamate?
The IUPAC name of ethyl N-(3-anilinophenyl)carbamate (CID 620656) is ethyl N-(3-anilinophenyl)carbamate.
What is the SMILES notation for ethyl N-(3-anilinophenyl)carbamate?
The canonical SMILES for ethyl N-(3-anilinophenyl)carbamate is CCOC(=O)Nc1cccc(Nc2ccccc2)c1.
What is the InChIKey of ethyl N-(3-anilinophenyl)carbamate?
The InChIKey is WOODPAWHQGLZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-2-19-15(18)17-14-10-6-9-13(11-14)16-12-7-4-3-5-8-12/h3-11,16H,2H2,1H3,(H,17,18).
What are the key properties of ethyl N-(3-anilinophenyl)carbamate?
ethyl N-(3-anilinophenyl)carbamate has a molecular weight of 256.31 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(3-anilinophenyl)carbamate is sourced from PubChem (CID 620656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).