[2-(2,4-dimethylphenyl)-2-methylpropyl]carbamic acid

C13H19NO2 — CID 115171380

IUPAC[2-(2,4-dimethylphenyl)-2-methylpropyl]carbamic acid
SMILESCc1ccc(C(C)(C)CNC(=O)O)c(C)c1
InChIInChI=1S/C13H19NO2/c1-9-5-6-11(10(2)7-9)13(3,4)8-14-12(15)16/h5-7,14H,8H2,1-4H3,(H,15,16)
InChIKeyLYZKZOMDGLOITP-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.85
Rot. Bonds3

About [2-(2,4-dimethylphenyl)-2-methylpropyl]carbamic acid

[2-(2,4-dimethylphenyl)-2-methylpropyl]carbamic acid (PubChem CID 115171380) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is [2-(2,4-dimethylphenyl)-2-methylpropyl]carbamic acid.

Molecular Properties

Compound Name[2-(2,4-dimethylphenyl)-2-methylpropyl]carbamic acid
PubChem CID115171380
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name[2-(2,4-dimethylphenyl)-2-methylpropyl]carbamic acid
SMILESCc1ccc(C(C)(C)CNC(=O)O)c(C)c1
InChIInChI=1S/C13H19NO2/c1-9-5-6-11(10(2)7-9)13(3,4)8-14-12(15)16/h5-7,14H,8H2,1-4H3,(H,15,16)
InChIKeyLYZKZOMDGLOITP-UHFFFAOYSA-N
XLogP2.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(2,4-dimethylphenyl)-2-methylpropyl]acetamide
CID 115191406
2-amino-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]-3-hydroxypropanamide
CID 115180202
2-cyano-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]acetamide
CID 115173418
3-cyano-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]propanamide
CID 115174062
[2-methyl-2-(2,4,6-trimethylphenyl)propyl]carbamic acid
CID 115171394
(E)-4-[[2-(2,4-dimethylphenyl)-2-methylpropyl]amino]but-2-enoic acid
CID 115237403
N-[2-(2,5-dimethylphenyl)-2-methylpropyl]acetamide
CID 115191394
2-amino-N-[2-(2,5-dimethylphenyl)-2-methylpropyl]-2-methylpropanamide
CID 115152822
N-[2-(2,5-dimethylphenyl)-2-methylpropyl]-3-oxobutanamide
CID 115176650
2-(2,4-dimethylphenyl)-N-(methoxymethyl)-2-methylpropan-1-amine
CID 115259147
1-amino-N-[2-(2,5-dimethylphenyl)-2-methylpropyl]cyclopropane-1-carboxamide
CID 115190062
[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]carbamic acid
CID 115171370

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethylphenyl)-2-methylpropyl]carbamic acid?
The IUPAC name of [2-(2,4-dimethylphenyl)-2-methylpropyl]carbamic acid (CID 115171380) is [2-(2,4-dimethylphenyl)-2-methylpropyl]carbamic acid.
What is the SMILES notation for [2-(2,4-dimethylphenyl)-2-methylpropyl]carbamic acid?
The canonical SMILES for [2-(2,4-dimethylphenyl)-2-methylpropyl]carbamic acid is Cc1ccc(C(C)(C)CNC(=O)O)c(C)c1.
What is the InChIKey of [2-(2,4-dimethylphenyl)-2-methylpropyl]carbamic acid?
The InChIKey is LYZKZOMDGLOITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9-5-6-11(10(2)7-9)13(3,4)8-14-12(15)16/h5-7,14H,8H2,1-4H3,(H,15,16).
What are the key properties of [2-(2,4-dimethylphenyl)-2-methylpropyl]carbamic acid?
[2-(2,4-dimethylphenyl)-2-methylpropyl]carbamic acid has a molecular weight of 221.30 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethylphenyl)-2-methylpropyl]carbamic acid is sourced from PubChem (CID 115171380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).