methyl-(2,3,4-trimethylphenyl)carbamic acid

C11H15NO2 — CID 54477582

IUPACmethyl-(2,3,4-trimethylphenyl)carbamic acid
SMILESCc1ccc(N(C)C(=O)O)c(C)c1C
InChIInChI=1S/C11H15NO2/c1-7-5-6-10(9(3)8(7)2)12(4)11(13)14/h5-6H,1-4H3,(H,13,14)
InChIKeyXMRFQHDRFNCNIT-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.73
Rot. Bonds1

About methyl-(2,3,4-trimethylphenyl)carbamic acid

methyl-(2,3,4-trimethylphenyl)carbamic acid (PubChem CID 54477582) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is methyl-(2,3,4-trimethylphenyl)carbamic acid.

Molecular Properties

Compound Namemethyl-(2,3,4-trimethylphenyl)carbamic acid
PubChem CID54477582
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Namemethyl-(2,3,4-trimethylphenyl)carbamic acid
SMILESCc1ccc(N(C)C(=O)O)c(C)c1C
InChIInChI=1S/C11H15NO2/c1-7-5-6-10(9(3)8(7)2)12(4)11(13)14/h5-6H,1-4H3,(H,13,14)
InChIKeyXMRFQHDRFNCNIT-UHFFFAOYSA-N
XLogP2.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of methyl-(2,3,4-trimethylphenyl)carbamic acid?
The IUPAC name of methyl-(2,3,4-trimethylphenyl)carbamic acid (CID 54477582) is methyl-(2,3,4-trimethylphenyl)carbamic acid.
What is the SMILES notation for methyl-(2,3,4-trimethylphenyl)carbamic acid?
The canonical SMILES for methyl-(2,3,4-trimethylphenyl)carbamic acid is Cc1ccc(N(C)C(=O)O)c(C)c1C.
What is the InChIKey of methyl-(2,3,4-trimethylphenyl)carbamic acid?
The InChIKey is XMRFQHDRFNCNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7-5-6-10(9(3)8(7)2)12(4)11(13)14/h5-6H,1-4H3,(H,13,14).
What are the key properties of methyl-(2,3,4-trimethylphenyl)carbamic acid?
methyl-(2,3,4-trimethylphenyl)carbamic acid has a molecular weight of 193.25 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(2,3,4-trimethylphenyl)carbamic acid is sourced from PubChem (CID 54477582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).