[4-[formyl(methyl)amino]-3,5-dimethylphenyl] N-methylcarbamate

C12H16N2O3 — CID 25069

IUPAC[4-[formyl(methyl)amino]-3,5-dimethylphenyl] N-methylcarbamate
SMILESCNC(=O)Oc1cc(C)c(N(C)C=O)c(C)c1
InChIInChI=1S/C12H16N2O3/c1-8-5-10(17-12(16)13-3)6-9(2)11(8)14(4)7-15/h5-7H,1-4H3,(H,13,16)
InChIKeyYZLKSROUDATCQE-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.61
Rot. Bonds3

About [4-[formyl(methyl)amino]-3,5-dimethylphenyl] N-methylcarbamate

[4-[formyl(methyl)amino]-3,5-dimethylphenyl] N-methylcarbamate (PubChem CID 25069) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is [4-[formyl(methyl)amino]-3,5-dimethylphenyl] N-methylcarbamate.

Molecular Properties

Compound Name[4-[formyl(methyl)amino]-3,5-dimethylphenyl] N-methylcarbamate
PubChem CID25069
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name[4-[formyl(methyl)amino]-3,5-dimethylphenyl] N-methylcarbamate
SMILESCNC(=O)Oc1cc(C)c(N(C)C=O)c(C)c1
InChIInChI=1S/C12H16N2O3/c1-8-5-10(17-12(16)13-3)6-9(2)11(8)14(4)7-15/h5-7H,1-4H3,(H,13,16)
InChIKeyYZLKSROUDATCQE-UHFFFAOYSA-N
XLogP1.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.61
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]-3,5-dimethylphenyl] N-methylcarbamate?
The IUPAC name of [4-[formyl(methyl)amino]-3,5-dimethylphenyl] N-methylcarbamate (CID 25069) is [4-[formyl(methyl)amino]-3,5-dimethylphenyl] N-methylcarbamate.
What is the SMILES notation for [4-[formyl(methyl)amino]-3,5-dimethylphenyl] N-methylcarbamate?
The canonical SMILES for [4-[formyl(methyl)amino]-3,5-dimethylphenyl] N-methylcarbamate is CNC(=O)Oc1cc(C)c(N(C)C=O)c(C)c1.
What is the InChIKey of [4-[formyl(methyl)amino]-3,5-dimethylphenyl] N-methylcarbamate?
The InChIKey is YZLKSROUDATCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8-5-10(17-12(16)13-3)6-9(2)11(8)14(4)7-15/h5-7H,1-4H3,(H,13,16).
What are the key properties of [4-[formyl(methyl)amino]-3,5-dimethylphenyl] N-methylcarbamate?
[4-[formyl(methyl)amino]-3,5-dimethylphenyl] N-methylcarbamate has a molecular weight of 236.27 g/mol, XLogP of 1.61, 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]-3,5-dimethylphenyl] N-methylcarbamate is sourced from PubChem (CID 25069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).