methyl-(3,4,5-trimethylphenyl)carbamic acid

C11H15NO2 — CID 57310686

IUPACmethyl-(3,4,5-trimethylphenyl)carbamic acid
SMILESCc1cc(N(C)C(=O)O)cc(C)c1C
InChIInChI=1S/C11H15NO2/c1-7-5-10(12(4)11(13)14)6-8(2)9(7)3/h5-6H,1-4H3,(H,13,14)
InChIKeyNTUYIOCWFBKOFV-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.73
Rot. Bonds1

About methyl-(3,4,5-trimethylphenyl)carbamic acid

methyl-(3,4,5-trimethylphenyl)carbamic acid (PubChem CID 57310686) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is methyl-(3,4,5-trimethylphenyl)carbamic acid.

Molecular Properties

Compound Namemethyl-(3,4,5-trimethylphenyl)carbamic acid
PubChem CID57310686
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Namemethyl-(3,4,5-trimethylphenyl)carbamic acid
SMILESCc1cc(N(C)C(=O)O)cc(C)c1C
InChIInChI=1S/C11H15NO2/c1-7-5-10(12(4)11(13)14)6-8(2)9(7)3/h5-6H,1-4H3,(H,13,14)
InChIKeyNTUYIOCWFBKOFV-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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Related Compounds

(4-isocyano-3-methylphenyl)-methylcarbamic acid
CID 88837202
6-[carboxy(methyl)amino]-2,3,4-trimethylbenzenethiolate
CID 135724718
N,3,4,5-tetramethyl-N-(3,4,5-trimethylphenyl)aniline
CID 90348185
2-oxo-2-(N,3,5-trimethyl-4-sulfanylanilino)acetic acid
CID 4713231
(4-tert-butyl-2,6-dimethylphenyl)-methylcarbamic acid
CID 115170748
(3-hydroxyphenyl)-methylcarbamic acid
CID 20544632
methyl(pyridin-4-yl)carbamic acid
CID 54205463
[4-[bis(prop-2-ynyl)amino]-3,5-dimethylphenyl]-methylcarbamic acid;[2-[bis(prop-2-ynyl)amino]-5-methylphenyl]-methylcarbamic acid
CID 163754764
2-oxo-2-(N,3,5-trimethylanilino)acetic acid
CID 62001578
formic acid;methyl(phenyl)carbamic acid
CID 161284118
1-aminobut-3-ynyl-(3,4,5-trimethylphenyl)carbamic acid
CID 172795950
(2,3,5,6-tetramethylphenyl)carbamic acid
CID 115170617

Frequently Asked Questions

What is the IUPAC name of methyl-(3,4,5-trimethylphenyl)carbamic acid?
The IUPAC name of methyl-(3,4,5-trimethylphenyl)carbamic acid (CID 57310686) is methyl-(3,4,5-trimethylphenyl)carbamic acid.
What is the SMILES notation for methyl-(3,4,5-trimethylphenyl)carbamic acid?
The canonical SMILES for methyl-(3,4,5-trimethylphenyl)carbamic acid is Cc1cc(N(C)C(=O)O)cc(C)c1C.
What is the InChIKey of methyl-(3,4,5-trimethylphenyl)carbamic acid?
The InChIKey is NTUYIOCWFBKOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7-5-10(12(4)11(13)14)6-8(2)9(7)3/h5-6H,1-4H3,(H,13,14).
What are the key properties of methyl-(3,4,5-trimethylphenyl)carbamic acid?
methyl-(3,4,5-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-(3,4,5-trimethylphenyl)carbamic acid is sourced from PubChem (CID 57310686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).