(2-tert-butylphenyl)-methylcarbamic acid

C12H17NO2 — CID 142882517

IUPAC(2-tert-butylphenyl)-methylcarbamic acid
SMILESCN(C(=O)O)c1ccccc1C(C)(C)C
InChIInChI=1S/C12H17NO2/c1-12(2,3)9-7-5-6-8-10(9)13(4)11(14)15/h5-8H,1-4H3,(H,14,15)
InChIKeyCGEMBHYETYPUHP-UHFFFAOYSA-N
MW207.27 g/mol
LogP3.10
Rot. Bonds1

About (2-tert-butylphenyl)-methylcarbamic acid

(2-tert-butylphenyl)-methylcarbamic acid (PubChem CID 142882517) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (2-tert-butylphenyl)-methylcarbamic acid.

Molecular Properties

Compound Name(2-tert-butylphenyl)-methylcarbamic acid
PubChem CID142882517
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(2-tert-butylphenyl)-methylcarbamic acid
SMILESCN(C(=O)O)c1ccccc1C(C)(C)C
InChIInChI=1S/C12H17NO2/c1-12(2,3)9-7-5-6-8-10(9)13(4)11(14)15/h5-8H,1-4H3,(H,14,15)
InChIKeyCGEMBHYETYPUHP-UHFFFAOYSA-N
XLogP3.10
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-tert-butylphenyl)-N-methyl-2-oxo-2-phenylacetamide
CID 139115648
N-(2-tert-butylphenyl)-N-methylcyclohexanecarboxamide
CID 84512216
1-(2-tert-butyl-N-methylanilino)propan-2-one
CID 117029491
2-tert-butyl-N,N-dimethylaniline;ethane
CID 161110367
2-[carboxy(methyl)amino]benzoic acid
CID 54515351
N-acetyl-N-(2-tert-butylphenyl)propanamide
CID 15889837
[2-(hydroxymethyl)phenyl]-methylcarbamic acid
CID 18370050
benzhydrylsulfamoyl-(2-tert-butylphenyl)carbamic acid
CID 67848975
N-(2-tert-butylphenyl)-N-methyl-1-methylsulfonylpiperidine-4-carboxamide
CID 110667709
methyl 3-(2-tert-butyl-N-methylanilino)propanoate
CID 117029464
N-(2-tert-butylphenyl)-2-chloro-N-(chloromethyl)acetamide
CID 54038118
(2R)-N-(2-tert-butylphenyl)-N,2,3,3-tetramethylpent-4-enethioamide
CID 101160081

Frequently Asked Questions

What is the IUPAC name of (2-tert-butylphenyl)-methylcarbamic acid?
The IUPAC name of (2-tert-butylphenyl)-methylcarbamic acid (CID 142882517) is (2-tert-butylphenyl)-methylcarbamic acid.
What is the SMILES notation for (2-tert-butylphenyl)-methylcarbamic acid?
The canonical SMILES for (2-tert-butylphenyl)-methylcarbamic acid is CN(C(=O)O)c1ccccc1C(C)(C)C.
What is the InChIKey of (2-tert-butylphenyl)-methylcarbamic acid?
The InChIKey is CGEMBHYETYPUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-12(2,3)9-7-5-6-8-10(9)13(4)11(14)15/h5-8H,1-4H3,(H,14,15).
What are the key properties of (2-tert-butylphenyl)-methylcarbamic acid?
(2-tert-butylphenyl)-methylcarbamic acid has a molecular weight of 207.27 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylphenyl)-methylcarbamic acid is sourced from PubChem (CID 142882517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).