(4-tert-butyl-2,6-dimethylphenyl)-methylcarbamic acid

C14H21NO2 — CID 115170748

IUPAC(4-tert-butyl-2,6-dimethylphenyl)-methylcarbamic acid
SMILESCc1cc(C(C)(C)C)cc(C)c1N(C)C(=O)O
InChIInChI=1S/C14H21NO2/c1-9-7-11(14(3,4)5)8-10(2)12(9)15(6)13(16)17/h7-8H,1-6H3,(H,16,17)
InChIKeyMOSFBBNBLLZJHH-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.72
Rot. Bonds1

About (4-tert-butyl-2,6-dimethylphenyl)-methylcarbamic acid

(4-tert-butyl-2,6-dimethylphenyl)-methylcarbamic acid (PubChem CID 115170748) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (4-tert-butyl-2,6-dimethylphenyl)-methylcarbamic acid.

Molecular Properties

Compound Name(4-tert-butyl-2,6-dimethylphenyl)-methylcarbamic acid
PubChem CID115170748
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(4-tert-butyl-2,6-dimethylphenyl)-methylcarbamic acid
SMILESCc1cc(C(C)(C)C)cc(C)c1N(C)C(=O)O
InChIInChI=1S/C14H21NO2/c1-9-7-11(14(3,4)5)8-10(2)12(9)15(6)13(16)17/h7-8H,1-6H3,(H,16,17)
InChIKeyMOSFBBNBLLZJHH-UHFFFAOYSA-N
XLogP3.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-tert-butyl-2,6-dimethylphenyl)-1,3-dimethylurea
CID 115169017
2,2-dimethyl-3-oxo-3-(N,2,4,6-tetramethylanilino)propanoic acid
CID 115163983
2-(4-tert-butyl-N,2,6-trimethylanilino)propanoic acid
CID 117041855
(2-methoxy-4,6-dimethylphenyl)-methylcarbamic acid
CID 115170774
methyl-(3,4,5-trimethylphenyl)carbamic acid
CID 57310686
(4-tert-butyl-N,2,6-trimethylanilino)methanol
CID 115228844
5-tert-butylbenzene-1,3-dicarboxylic acid
CID 159495338
terbium;bis(1,3,5-tritert-butylbenzene)
CID 134902614
2-amino-2-(4-tert-butyl-2,6-dimethylphenyl)-N-methylacetohydrazide
CID 116848948
ethyl N-(4-tert-butyl-2,6-dimethylphenyl)-N-ethylcarbamate
CID 134283843
(2-tert-butylphenyl)-methylcarbamic acid
CID 142882517
1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1,3-dimethylurea
CID 115169248

Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-2,6-dimethylphenyl)-methylcarbamic acid?
The IUPAC name of (4-tert-butyl-2,6-dimethylphenyl)-methylcarbamic acid (CID 115170748) is (4-tert-butyl-2,6-dimethylphenyl)-methylcarbamic acid.
What is the SMILES notation for (4-tert-butyl-2,6-dimethylphenyl)-methylcarbamic acid?
The canonical SMILES for (4-tert-butyl-2,6-dimethylphenyl)-methylcarbamic acid is Cc1cc(C(C)(C)C)cc(C)c1N(C)C(=O)O.
What is the InChIKey of (4-tert-butyl-2,6-dimethylphenyl)-methylcarbamic acid?
The InChIKey is MOSFBBNBLLZJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-9-7-11(14(3,4)5)8-10(2)12(9)15(6)13(16)17/h7-8H,1-6H3,(H,16,17).
What are the key properties of (4-tert-butyl-2,6-dimethylphenyl)-methylcarbamic acid?
(4-tert-butyl-2,6-dimethylphenyl)-methylcarbamic acid has a molecular weight of 235.33 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-2,6-dimethylphenyl)-methylcarbamic acid is sourced from PubChem (CID 115170748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).