[4-[formyl(methyl)amino]-3-methylphenyl] N-methylcarbamate

C11H14N2O3 — CID 25073

IUPAC[4-[formyl(methyl)amino]-3-methylphenyl] N-methylcarbamate
SMILESCNC(=O)Oc1ccc(N(C)C=O)c(C)c1
InChIInChI=1S/C11H14N2O3/c1-8-6-9(16-11(15)12-2)4-5-10(8)13(3)7-14/h4-7H,1-3H3,(H,12,15)
InChIKeyMPQHMJZTYSTFTQ-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.31
Rot. Bonds3

About [4-[formyl(methyl)amino]-3-methylphenyl] N-methylcarbamate

[4-[formyl(methyl)amino]-3-methylphenyl] N-methylcarbamate (PubChem CID 25073) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is [4-[formyl(methyl)amino]-3-methylphenyl] N-methylcarbamate.

Molecular Properties

Compound Name[4-[formyl(methyl)amino]-3-methylphenyl] N-methylcarbamate
PubChem CID25073
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name[4-[formyl(methyl)amino]-3-methylphenyl] N-methylcarbamate
SMILESCNC(=O)Oc1ccc(N(C)C=O)c(C)c1
InChIInChI=1S/C11H14N2O3/c1-8-6-9(16-11(15)12-2)4-5-10(8)13(3)7-14/h4-7H,1-3H3,(H,12,15)
InChIKeyMPQHMJZTYSTFTQ-UHFFFAOYSA-N
XLogP1.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.31
H-Bond Donors ≤ 51
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-[formyl(methyl)amino]-3-methylphenyl] N-methylcarbamate?
The IUPAC name of [4-[formyl(methyl)amino]-3-methylphenyl] N-methylcarbamate (CID 25073) is [4-[formyl(methyl)amino]-3-methylphenyl] N-methylcarbamate.
What is the SMILES notation for [4-[formyl(methyl)amino]-3-methylphenyl] N-methylcarbamate?
The canonical SMILES for [4-[formyl(methyl)amino]-3-methylphenyl] N-methylcarbamate is CNC(=O)Oc1ccc(N(C)C=O)c(C)c1.
What is the InChIKey of [4-[formyl(methyl)amino]-3-methylphenyl] N-methylcarbamate?
The InChIKey is MPQHMJZTYSTFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-8-6-9(16-11(15)12-2)4-5-10(8)13(3)7-14/h4-7H,1-3H3,(H,12,15).
What are the key properties of [4-[formyl(methyl)amino]-3-methylphenyl] N-methylcarbamate?
[4-[formyl(methyl)amino]-3-methylphenyl] N-methylcarbamate has a molecular weight of 222.24 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[formyl(methyl)amino]-3-methylphenyl] N-methylcarbamate is sourced from PubChem (CID 25073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).