[3-(methoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate

C16H16N2O4 — CID 24744

IUPAC[3-(methoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate
SMILESCOC(=O)Nc1cccc(OC(=O)Nc2cccc(C)c2)c1
InChIInChI=1S/C16H16N2O4/c1-11-5-3-6-12(9-11)18-16(20)22-14-8-4-7-13(10-14)17-15(19)21-2/h3-10H,1-2H3,(H,17,19)(H,18,20)
InChIKeyIDOWTHOLJBTAFI-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.78
Rot. Bonds3

About [3-(methoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate

[3-(methoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate (PubChem CID 24744) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is [3-(methoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate.

Molecular Properties

Compound Name[3-(methoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate
PubChem CID24744
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name[3-(methoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate
SMILESCOC(=O)Nc1cccc(OC(=O)Nc2cccc(C)c2)c1
InChIInChI=1S/C16H16N2O4/c1-11-5-3-6-12(9-11)18-16(20)22-14-8-4-7-13(10-14)17-15(19)21-2/h3-10H,1-2H3,(H,17,19)(H,18,20)
InChIKeyIDOWTHOLJBTAFI-UHFFFAOYSA-N
XLogP3.78
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(methoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate?
The IUPAC name of [3-(methoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate (CID 24744) is [3-(methoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate.
What is the SMILES notation for [3-(methoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate?
The canonical SMILES for [3-(methoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate is COC(=O)Nc1cccc(OC(=O)Nc2cccc(C)c2)c1.
What is the InChIKey of [3-(methoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate?
The InChIKey is IDOWTHOLJBTAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-11-5-3-6-12(9-11)18-16(20)22-14-8-4-7-13(10-14)17-15(19)21-2/h3-10H,1-2H3,(H,17,19)(H,18,20).
What are the key properties of [3-(methoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate?
[3-(methoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate has a molecular weight of 300.31 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate is sourced from PubChem (CID 24744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).