methyl N-[3-(methoxycarbonylamino)-2-methylphenyl]carbamate

C11H14N2O4 — CID 11064442

IUPACmethyl N-[3-(methoxycarbonylamino)-2-methylphenyl]carbamate
SMILESCOC(=O)Nc1cccc(NC(=O)OC)c1C
InChIInChI=1S/C11H14N2O4/c1-7-8(12-10(14)16-2)5-4-6-9(7)13-11(15)17-3/h4-6H,1-3H3,(H,12,14)(H,13,15)
InChIKeyJNNLWOJZIPJIQG-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.35
Rot. Bonds2

About methyl N-[3-(methoxycarbonylamino)-2-methylphenyl]carbamate

methyl N-[3-(methoxycarbonylamino)-2-methylphenyl]carbamate (PubChem CID 11064442) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is methyl N-[3-(methoxycarbonylamino)-2-methylphenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-(methoxycarbonylamino)-2-methylphenyl]carbamate
PubChem CID11064442
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Namemethyl N-[3-(methoxycarbonylamino)-2-methylphenyl]carbamate
SMILESCOC(=O)Nc1cccc(NC(=O)OC)c1C
InChIInChI=1S/C11H14N2O4/c1-7-8(12-10(14)16-2)5-4-6-9(7)13-11(15)17-3/h4-6H,1-3H3,(H,12,14)(H,13,15)
InChIKeyJNNLWOJZIPJIQG-UHFFFAOYSA-N
XLogP2.35
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-[3-(methoxycarbonylamino)-2-methylphenyl]carbamate?
The IUPAC name of methyl N-[3-(methoxycarbonylamino)-2-methylphenyl]carbamate (CID 11064442) is methyl N-[3-(methoxycarbonylamino)-2-methylphenyl]carbamate.
What is the SMILES notation for methyl N-[3-(methoxycarbonylamino)-2-methylphenyl]carbamate?
The canonical SMILES for methyl N-[3-(methoxycarbonylamino)-2-methylphenyl]carbamate is COC(=O)Nc1cccc(NC(=O)OC)c1C.
What is the InChIKey of methyl N-[3-(methoxycarbonylamino)-2-methylphenyl]carbamate?
The InChIKey is JNNLWOJZIPJIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-7-8(12-10(14)16-2)5-4-6-9(7)13-11(15)17-3/h4-6H,1-3H3,(H,12,14)(H,13,15).
What are the key properties of methyl N-[3-(methoxycarbonylamino)-2-methylphenyl]carbamate?
methyl N-[3-(methoxycarbonylamino)-2-methylphenyl]carbamate has a molecular weight of 238.24 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-(methoxycarbonylamino)-2-methylphenyl]carbamate is sourced from PubChem (CID 11064442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).