[2-methyl-2-(2,4,6-trimethylphenyl)propyl]carbamic acid

C14H21NO2 — CID 115171394

IUPAC[2-methyl-2-(2,4,6-trimethylphenyl)propyl]carbamic acid
SMILESCc1cc(C)c(C(C)(C)CNC(=O)O)c(C)c1
InChIInChI=1S/C14H21NO2/c1-9-6-10(2)12(11(3)7-9)14(4,5)8-15-13(16)17/h6-7,15H,8H2,1-5H3,(H,16,17)
InChIKeyIZBFOULUOWYSAR-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.16
Rot. Bonds3

About [2-methyl-2-(2,4,6-trimethylphenyl)propyl]carbamic acid

[2-methyl-2-(2,4,6-trimethylphenyl)propyl]carbamic acid (PubChem CID 115171394) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is [2-methyl-2-(2,4,6-trimethylphenyl)propyl]carbamic acid.

Molecular Properties

Compound Name[2-methyl-2-(2,4,6-trimethylphenyl)propyl]carbamic acid
PubChem CID115171394
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name[2-methyl-2-(2,4,6-trimethylphenyl)propyl]carbamic acid
SMILESCc1cc(C)c(C(C)(C)CNC(=O)O)c(C)c1
InChIInChI=1S/C14H21NO2/c1-9-6-10(2)12(11(3)7-9)14(4,5)8-15-13(16)17/h6-7,15H,8H2,1-5H3,(H,16,17)
InChIKeyIZBFOULUOWYSAR-UHFFFAOYSA-N
XLogP3.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [2-methyl-2-(2,4,6-trimethylphenyl)propyl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]carbamoyl bromide
CID 115194226
3-hydroxy-N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]propanamide
CID 115139516
2-(methylamino)-N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]acetamide
CID 115152174
[2-(2,4-dimethylphenyl)-2-methylpropyl]carbamic acid
CID 115171380
1-[[2-methyl-2-(2,4,6-trimethylphenyl)propyl]amino]propan-2-one
CID 115235277
2-methyl-1-N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]propane-1,2-diamine
CID 115136351
N-[2-(2-methoxy-4,6-dimethylphenyl)-2-methylpropyl]carbamoyl chloride
CID 115195188
1-[2-(2-methoxy-4,6-dimethylphenyl)-2-methylpropyl]-3-methylurea
CID 115169613
N-(bromomethyl)-2-methyl-2-(2,4,6-trimethylphenyl)propan-1-amine
CID 115262537
N'-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]methanediamine
CID 115226366
[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]carbamic acid
CID 115171370
N-methyl-N'-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]ethane-1,2-diamine
CID 115196167

Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-(2,4,6-trimethylphenyl)propyl]carbamic acid?
The IUPAC name of [2-methyl-2-(2,4,6-trimethylphenyl)propyl]carbamic acid (CID 115171394) is [2-methyl-2-(2,4,6-trimethylphenyl)propyl]carbamic acid.
What is the SMILES notation for [2-methyl-2-(2,4,6-trimethylphenyl)propyl]carbamic acid?
The canonical SMILES for [2-methyl-2-(2,4,6-trimethylphenyl)propyl]carbamic acid is Cc1cc(C)c(C(C)(C)CNC(=O)O)c(C)c1.
What is the InChIKey of [2-methyl-2-(2,4,6-trimethylphenyl)propyl]carbamic acid?
The InChIKey is IZBFOULUOWYSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-9-6-10(2)12(11(3)7-9)14(4,5)8-15-13(16)17/h6-7,15H,8H2,1-5H3,(H,16,17).
What are the key properties of [2-methyl-2-(2,4,6-trimethylphenyl)propyl]carbamic acid?
[2-methyl-2-(2,4,6-trimethylphenyl)propyl]carbamic acid has a molecular weight of 235.33 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-2-(2,4,6-trimethylphenyl)propyl]carbamic acid is sourced from PubChem (CID 115171394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).