(4-methylphenyl)methyl N,N-dimethylcarbamate

C11H15NO2 — CID 12963451

IUPAC(4-methylphenyl)methyl N,N-dimethylcarbamate
SMILESCc1ccc(COC(=O)N(C)C)cc1
InChIInChI=1S/C11H15NO2/c1-9-4-6-10(7-5-9)8-14-11(13)12(2)3/h4-7H,8H2,1-3H3
InChIKeyIXIHLLVGNLCRCV-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.19
Rot. Bonds2

About (4-methylphenyl)methyl N,N-dimethylcarbamate

(4-methylphenyl)methyl N,N-dimethylcarbamate (PubChem CID 12963451) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (4-methylphenyl)methyl N,N-dimethylcarbamate.

Molecular Properties

Compound Name(4-methylphenyl)methyl N,N-dimethylcarbamate
PubChem CID12963451
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(4-methylphenyl)methyl N,N-dimethylcarbamate
SMILESCc1ccc(COC(=O)N(C)C)cc1
InChIInChI=1S/C11H15NO2/c1-9-4-6-10(7-5-9)8-14-11(13)12(2)3/h4-7H,8H2,1-3H3
InChIKeyIXIHLLVGNLCRCV-UHFFFAOYSA-N
XLogP2.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)methyl N,N-dimethylcarbamate?
The IUPAC name of (4-methylphenyl)methyl N,N-dimethylcarbamate (CID 12963451) is (4-methylphenyl)methyl N,N-dimethylcarbamate.
What is the SMILES notation for (4-methylphenyl)methyl N,N-dimethylcarbamate?
The canonical SMILES for (4-methylphenyl)methyl N,N-dimethylcarbamate is Cc1ccc(COC(=O)N(C)C)cc1.
What is the InChIKey of (4-methylphenyl)methyl N,N-dimethylcarbamate?
The InChIKey is IXIHLLVGNLCRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-9-4-6-10(7-5-9)8-14-11(13)12(2)3/h4-7H,8H2,1-3H3.
What are the key properties of (4-methylphenyl)methyl N,N-dimethylcarbamate?
(4-methylphenyl)methyl N,N-dimethylcarbamate has a molecular weight of 193.25 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)methyl N,N-dimethylcarbamate is sourced from PubChem (CID 12963451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).