(2,3,5,6-tetramethylphenyl)carbamic acid

C11H15NO2 — CID 115170617

IUPAC(2,3,5,6-tetramethylphenyl)carbamic acid
SMILESCc1cc(C)c(C)c(NC(=O)O)c1C
InChIInChI=1S/C11H15NO2/c1-6-5-7(2)9(4)10(8(6)3)12-11(13)14/h5,12H,1-4H3,(H,13,14)
InChIKeyKWRUJZHPYIIGBN-UHFFFAOYSA-N
MW193.25 g/mol
LogP3.01
Rot. Bonds1

About (2,3,5,6-tetramethylphenyl)carbamic acid

(2,3,5,6-tetramethylphenyl)carbamic acid (PubChem CID 115170617) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (2,3,5,6-tetramethylphenyl)carbamic acid.

Molecular Properties

Compound Name(2,3,5,6-tetramethylphenyl)carbamic acid
PubChem CID115170617
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(2,3,5,6-tetramethylphenyl)carbamic acid
SMILESCc1cc(C)c(C)c(NC(=O)O)c1C
InChIInChI=1S/C11H15NO2/c1-6-5-7(2)9(4)10(8(6)3)12-11(13)14/h5,12H,1-4H3,(H,13,14)
InChIKeyKWRUJZHPYIIGBN-UHFFFAOYSA-N
XLogP3.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-hydroxy-N-(2,3,5,6-tetramethylphenyl)propanamide
CID 115140366
2-amino-N-(2,3,5,6-tetramethylphenyl)acetamide
CID 82492252
1-[(2,3,5,6-tetramethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 115181806
1-cyano-N-(2,3,5,6-tetramethylphenyl)cyclopropane-1-carboxamide
CID 115181388
3-amino-3-methyl-N-(2,3,5,6-tetramethylphenyl)butanamide
CID 115154822
2-[(2,3,5,6-tetramethylanilino)methyl]butanoic acid
CID 115249694
3-methyl-4-(2,3,5,6-tetramethylanilino)butanoic acid
CID 115219701
3-amino-4-(2,3,5,6-tetramethylanilino)butanoic acid
CID 115241453
N-(2,3,5,6-tetramethylphenyl)piperazine-1-carboxamide
CID 82302374
2-(methylaminomethyl)-N-(2,3,5,6-tetramethylphenyl)butanamide
CID 115188725
(2,6-difluoro-4-methylphenyl)carbamic acid
CID 175535937
1-[(2,3,5,6-tetramethylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115242711

Frequently Asked Questions

What is the IUPAC name of (2,3,5,6-tetramethylphenyl)carbamic acid?
The IUPAC name of (2,3,5,6-tetramethylphenyl)carbamic acid (CID 115170617) is (2,3,5,6-tetramethylphenyl)carbamic acid.
What is the SMILES notation for (2,3,5,6-tetramethylphenyl)carbamic acid?
The canonical SMILES for (2,3,5,6-tetramethylphenyl)carbamic acid is Cc1cc(C)c(C)c(NC(=O)O)c1C.
What is the InChIKey of (2,3,5,6-tetramethylphenyl)carbamic acid?
The InChIKey is KWRUJZHPYIIGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-6-5-7(2)9(4)10(8(6)3)12-11(13)14/h5,12H,1-4H3,(H,13,14).
What are the key properties of (2,3,5,6-tetramethylphenyl)carbamic acid?
(2,3,5,6-tetramethylphenyl)carbamic acid has a molecular weight of 193.25 g/mol, XLogP of 3.01, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,5,6-tetramethylphenyl)carbamic acid is sourced from PubChem (CID 115170617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).