(2-methylphenyl) N,N-dimethylcarbamate

C10H13NO2 — CID 23730

IUPAC(2-methylphenyl) N,N-dimethylcarbamate
SMILESCc1ccccc1OC(=O)N(C)C
InChIInChI=1S/C10H13NO2/c1-8-6-4-5-7-9(8)13-10(12)11(2)3/h4-7H,1-3H3
InChIKeyQKAVMOJYJHTFPY-UHFFFAOYSA-N
MW179.22 g/mol
LogP2.06
Rot. Bonds1

About (2-methylphenyl) N,N-dimethylcarbamate

(2-methylphenyl) N,N-dimethylcarbamate (PubChem CID 23730) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is (2-methylphenyl) N,N-dimethylcarbamate.

Molecular Properties

Compound Name(2-methylphenyl) N,N-dimethylcarbamate
PubChem CID23730
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name(2-methylphenyl) N,N-dimethylcarbamate
SMILESCc1ccccc1OC(=O)N(C)C
InChIInChI=1S/C10H13NO2/c1-8-6-4-5-7-9(8)13-10(12)11(2)3/h4-7H,1-3H3
InChIKeyQKAVMOJYJHTFPY-UHFFFAOYSA-N
XLogP2.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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M-(1-Ethylpropyl)phenyl methylcarbamate
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5,6,7,8-Tetrahydro-1-naphthyl methylcarbamate
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trans-2-Methoxycinnamyl acetate
CID 101550454

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl) N,N-dimethylcarbamate?
The IUPAC name of (2-methylphenyl) N,N-dimethylcarbamate (CID 23730) is (2-methylphenyl) N,N-dimethylcarbamate.
What is the SMILES notation for (2-methylphenyl) N,N-dimethylcarbamate?
The canonical SMILES for (2-methylphenyl) N,N-dimethylcarbamate is Cc1ccccc1OC(=O)N(C)C.
What is the InChIKey of (2-methylphenyl) N,N-dimethylcarbamate?
The InChIKey is QKAVMOJYJHTFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-8-6-4-5-7-9(8)13-10(12)11(2)3/h4-7H,1-3H3.
What are the key properties of (2-methylphenyl) N,N-dimethylcarbamate?
(2-methylphenyl) N,N-dimethylcarbamate has a molecular weight of 179.22 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl) N,N-dimethylcarbamate is sourced from PubChem (CID 23730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).