[2-methyl-2-(4-propan-2-ylphenyl)propyl]carbamic acid

C14H21NO2 — CID 115171362

IUPAC[2-methyl-2-(4-propan-2-ylphenyl)propyl]carbamic acid
SMILESCC(C)c1ccc(C(C)(C)CNC(=O)O)cc1
InChIInChI=1S/C14H21NO2/c1-10(2)11-5-7-12(8-6-11)14(3,4)9-15-13(16)17/h5-8,10,15H,9H2,1-4H3,(H,16,17)
InChIKeyVOGASALFOWAWLN-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.36
Rot. Bonds4

About [2-methyl-2-(4-propan-2-ylphenyl)propyl]carbamic acid

[2-methyl-2-(4-propan-2-ylphenyl)propyl]carbamic acid (PubChem CID 115171362) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is [2-methyl-2-(4-propan-2-ylphenyl)propyl]carbamic acid.

Molecular Properties

Compound Name[2-methyl-2-(4-propan-2-ylphenyl)propyl]carbamic acid
PubChem CID115171362
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name[2-methyl-2-(4-propan-2-ylphenyl)propyl]carbamic acid
SMILESCC(C)c1ccc(C(C)(C)CNC(=O)O)cc1
InChIInChI=1S/C14H21NO2/c1-10(2)11-5-7-12(8-6-11)14(3,4)9-15-13(16)17/h5-8,10,15H,9H2,1-4H3,(H,16,17)
InChIKeyVOGASALFOWAWLN-UHFFFAOYSA-N
XLogP3.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-methyl-2-(4-propan-2-ylphenyl)propyl]carbamoyl bromide
CID 115194195
[2-methyl-2-(4-propan-2-ylphenyl)propyl]urea
CID 115168740
[2-methyl-2-(4-propan-2-ylsulfanylphenyl)propyl]carbamic acid
CID 115171438
1-(2-methyl-2-phenylpropyl)-3-(4-propan-2-ylphenyl)urea
CID 113213273
2-(4-propan-2-ylphenyl)propan-2-ylcarbamic acid
CID 154135405
[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]carbamic acid
CID 115171370
N-[2-(4-butan-2-ylphenyl)-2-methylpropyl]-2-oxoacetamide
CID 115166817
1-[2-methyl-2-(4-methylphenyl)propyl]-3-(2-methylpropyl)urea
CID 113214142
1-[2-(4-chlorophenyl)-2-methylpropyl]-3-propan-2-ylurea
CID 47307554
2-hydroxy-2-(4-propan-2-ylphenyl)propanoic acid
CID 19855513
[2-methyl-2-(4-methylphenyl)propyl]carbamoylazanide;ruthenium(1+)
CID 142973882
(2R)-2-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]propanamide;hydrochloride
CID 119297367

Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-(4-propan-2-ylphenyl)propyl]carbamic acid?
The IUPAC name of [2-methyl-2-(4-propan-2-ylphenyl)propyl]carbamic acid (CID 115171362) is [2-methyl-2-(4-propan-2-ylphenyl)propyl]carbamic acid.
What is the SMILES notation for [2-methyl-2-(4-propan-2-ylphenyl)propyl]carbamic acid?
The canonical SMILES for [2-methyl-2-(4-propan-2-ylphenyl)propyl]carbamic acid is CC(C)c1ccc(C(C)(C)CNC(=O)O)cc1.
What is the InChIKey of [2-methyl-2-(4-propan-2-ylphenyl)propyl]carbamic acid?
The InChIKey is VOGASALFOWAWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10(2)11-5-7-12(8-6-11)14(3,4)9-15-13(16)17/h5-8,10,15H,9H2,1-4H3,(H,16,17).
What are the key properties of [2-methyl-2-(4-propan-2-ylphenyl)propyl]carbamic acid?
[2-methyl-2-(4-propan-2-ylphenyl)propyl]carbamic acid has a molecular weight of 235.33 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-2-(4-propan-2-ylphenyl)propyl]carbamic acid is sourced from PubChem (CID 115171362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).