(4-formamido-3-methylphenyl) N-methylcarbamate

C10H12N2O3 — CID 25074

IUPAC(4-formamido-3-methylphenyl) N-methylcarbamate
SMILESCNC(=O)Oc1ccc(NC=O)c(C)c1
InChIInChI=1S/C10H12N2O3/c1-7-5-8(15-10(14)11-2)3-4-9(7)12-6-13/h3-6H,1-2H3,(H,11,14)(H,12,13)
InChIKeyQZOYGMYHZQHLFC-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.28
Rot. Bonds3

About (4-formamido-3-methylphenyl) N-methylcarbamate

(4-formamido-3-methylphenyl) N-methylcarbamate (PubChem CID 25074) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is (4-formamido-3-methylphenyl) N-methylcarbamate.

Molecular Properties

Compound Name(4-formamido-3-methylphenyl) N-methylcarbamate
PubChem CID25074
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name(4-formamido-3-methylphenyl) N-methylcarbamate
SMILESCNC(=O)Oc1ccc(NC=O)c(C)c1
InChIInChI=1S/C10H12N2O3/c1-7-5-8(15-10(14)11-2)3-4-9(7)12-6-13/h3-6H,1-2H3,(H,11,14)(H,12,13)
InChIKeyQZOYGMYHZQHLFC-UHFFFAOYSA-N
XLogP1.28
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-formamido-3-methylphenyl) N-methylcarbamate?
The IUPAC name of (4-formamido-3-methylphenyl) N-methylcarbamate (CID 25074) is (4-formamido-3-methylphenyl) N-methylcarbamate.
What is the SMILES notation for (4-formamido-3-methylphenyl) N-methylcarbamate?
The canonical SMILES for (4-formamido-3-methylphenyl) N-methylcarbamate is CNC(=O)Oc1ccc(NC=O)c(C)c1.
What is the InChIKey of (4-formamido-3-methylphenyl) N-methylcarbamate?
The InChIKey is QZOYGMYHZQHLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-7-5-8(15-10(14)11-2)3-4-9(7)12-6-13/h3-6H,1-2H3,(H,11,14)(H,12,13).
What are the key properties of (4-formamido-3-methylphenyl) N-methylcarbamate?
(4-formamido-3-methylphenyl) N-methylcarbamate has a molecular weight of 208.22 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-formamido-3-methylphenyl) N-methylcarbamate is sourced from PubChem (CID 25074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).