2-(4-propan-2-ylphenyl)propan-2-ylcarbamic acid

C13H19NO2 — CID 154135405

IUPAC2-(4-propan-2-ylphenyl)propan-2-ylcarbamic acid
SMILESCC(C)c1ccc(C(C)(C)NC(=O)O)cc1
InChIInChI=1S/C13H19NO2/c1-9(2)10-5-7-11(8-6-10)13(3,4)14-12(15)16/h5-9,14H,1-4H3,(H,15,16)
InChIKeySLHREPBWUVHZKL-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.31
Rot. Bonds3

About 2-(4-propan-2-ylphenyl)propan-2-ylcarbamic acid

2-(4-propan-2-ylphenyl)propan-2-ylcarbamic acid (PubChem CID 154135405) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenyl)propan-2-ylcarbamic acid.

Molecular Properties

Compound Name2-(4-propan-2-ylphenyl)propan-2-ylcarbamic acid
PubChem CID154135405
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-(4-propan-2-ylphenyl)propan-2-ylcarbamic acid
SMILESCC(C)c1ccc(C(C)(C)NC(=O)O)cc1
InChIInChI=1S/C13H19NO2/c1-9(2)10-5-7-11(8-6-10)13(3,4)14-12(15)16/h5-9,14H,1-4H3,(H,15,16)
InChIKeySLHREPBWUVHZKL-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-phenylpropan-2-ylcarbamic acid
CID 23445609
[2-methyl-2-(4-propan-2-ylphenyl)propyl]carbamic acid
CID 115171362
2-hydroxy-2-(4-propan-2-ylphenyl)propanoic acid
CID 19855513
2-(4-propan-2-ylphenyl)propan-2-ol
CID 18935
3-hydroxy-2-propan-2-yl-3-(4-propan-2-ylphenyl)butanoic acid
CID 62396641
4-propan-2-ylbenzoic acid;hydrochloride
CID 70157848
copper 4-propan-2-ylbenzoic acid
CID 54605006
1-methyl-4-propan-2-ylbenzene;4-propan-2-ylbenzoic acid
CID 143857654
N-(3,3-dimethyl-2-oxobutyl)-4-propan-2-ylbenzamide
CID 64992078
N-[2-methyl-2-(4-propan-2-ylphenyl)propyl]carbamoyl bromide
CID 115194195
4-amino-3-methyl-3-(4-propan-2-ylphenyl)pentanoic acid
CID 66096034
[2-methyl-2-(4-propan-2-ylphenyl)propyl]urea
CID 115168740

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenyl)propan-2-ylcarbamic acid?
The IUPAC name of 2-(4-propan-2-ylphenyl)propan-2-ylcarbamic acid (CID 154135405) is 2-(4-propan-2-ylphenyl)propan-2-ylcarbamic acid.
What is the SMILES notation for 2-(4-propan-2-ylphenyl)propan-2-ylcarbamic acid?
The canonical SMILES for 2-(4-propan-2-ylphenyl)propan-2-ylcarbamic acid is CC(C)c1ccc(C(C)(C)NC(=O)O)cc1.
What is the InChIKey of 2-(4-propan-2-ylphenyl)propan-2-ylcarbamic acid?
The InChIKey is SLHREPBWUVHZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9(2)10-5-7-11(8-6-10)13(3,4)14-12(15)16/h5-9,14H,1-4H3,(H,15,16).
What are the key properties of 2-(4-propan-2-ylphenyl)propan-2-ylcarbamic acid?
2-(4-propan-2-ylphenyl)propan-2-ylcarbamic acid has a molecular weight of 221.30 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenyl)propan-2-ylcarbamic acid is sourced from PubChem (CID 154135405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).