(2-methoxy-4,6-dimethylphenyl)-methylcarbamic acid

C11H15NO3 — CID 115170774

IUPAC(2-methoxy-4,6-dimethylphenyl)-methylcarbamic acid
SMILESCOc1cc(C)cc(C)c1N(C)C(=O)O
InChIInChI=1S/C11H15NO3/c1-7-5-8(2)10(9(6-7)15-4)12(3)11(13)14/h5-6H,1-4H3,(H,13,14)
InChIKeyIDDNDJPWOIJKSW-UHFFFAOYSA-N
MW209.24 g/mol
LogP2.43
Rot. Bonds2

About (2-methoxy-4,6-dimethylphenyl)-methylcarbamic acid

(2-methoxy-4,6-dimethylphenyl)-methylcarbamic acid (PubChem CID 115170774) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is (2-methoxy-4,6-dimethylphenyl)-methylcarbamic acid.

Molecular Properties

Compound Name(2-methoxy-4,6-dimethylphenyl)-methylcarbamic acid
PubChem CID115170774
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name(2-methoxy-4,6-dimethylphenyl)-methylcarbamic acid
SMILESCOc1cc(C)cc(C)c1N(C)C(=O)O
InChIInChI=1S/C11H15NO3/c1-7-5-8(2)10(9(6-7)15-4)12(3)11(13)14/h5-6H,1-4H3,(H,13,14)
InChIKeyIDDNDJPWOIJKSW-UHFFFAOYSA-N
XLogP2.43
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methoxy-4,6-dimethylphenyl)-N-methyl-2-(methylamino)acetamide
CID 82496838
4-hydroxy-N-(2-methoxy-4,6-dimethylphenyl)-N-methylbutanamide
CID 115162917
3-amino-2-hydroxy-N-(2-methoxy-4,6-dimethylphenyl)-N-methylpropanamide
CID 115180432
3-amino-N-(2-methoxy-4,6-dimethylphenyl)-N,2-dimethylpropanamide
CID 115153589
(2-methoxy-3,5-dimethylphenyl)-methylcarbamic acid
CID 115170741
2-(dimethylamino)-2-(2-methoxy-4,6-dimethylphenyl)acetic acid
CID 82476708
N-(bromomethyl)-2-methoxy-N,4,6-trimethylaniline
CID 115261763
(E)-3-(2-methoxy-4,6-dimethylphenyl)prop-2-enoic acid
CID 82492148
N-(2,4-dimethoxy-6-methylphenyl)-N-methylcarbamoyl chloride
CID 115194561
(4-tert-butyl-2,6-dimethylphenyl)-methylcarbamic acid
CID 115170748
2,2-dimethyl-3-oxo-3-(N,2,4,6-tetramethylanilino)propanoic acid
CID 115163983
(4-methoxy-2-methyl-5-propan-2-ylphenyl)-methylcarbamic acid
CID 115170722

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4,6-dimethylphenyl)-methylcarbamic acid?
The IUPAC name of (2-methoxy-4,6-dimethylphenyl)-methylcarbamic acid (CID 115170774) is (2-methoxy-4,6-dimethylphenyl)-methylcarbamic acid.
What is the SMILES notation for (2-methoxy-4,6-dimethylphenyl)-methylcarbamic acid?
The canonical SMILES for (2-methoxy-4,6-dimethylphenyl)-methylcarbamic acid is COc1cc(C)cc(C)c1N(C)C(=O)O.
What is the InChIKey of (2-methoxy-4,6-dimethylphenyl)-methylcarbamic acid?
The InChIKey is IDDNDJPWOIJKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-7-5-8(2)10(9(6-7)15-4)12(3)11(13)14/h5-6H,1-4H3,(H,13,14).
What are the key properties of (2-methoxy-4,6-dimethylphenyl)-methylcarbamic acid?
(2-methoxy-4,6-dimethylphenyl)-methylcarbamic acid has a molecular weight of 209.24 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4,6-dimethylphenyl)-methylcarbamic acid is sourced from PubChem (CID 115170774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).