2-(3,4-dimethylphenoxy)ethyl-methylcarbamic acid

C12H17NO3 — CID 146277523

IUPAC2-(3,4-dimethylphenoxy)ethyl-methylcarbamic acid
SMILESCc1ccc(OCCN(C)C(=O)O)cc1C
InChIInChI=1S/C12H17NO3/c1-9-4-5-11(8-10(9)2)16-7-6-13(3)12(14)15/h4-5,8H,6-7H2,1-3H3,(H,14,15)
InChIKeyCDIYRXYHTZVTAW-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.29
Rot. Bonds4

About 2-(3,4-dimethylphenoxy)ethyl-methylcarbamic acid

2-(3,4-dimethylphenoxy)ethyl-methylcarbamic acid (PubChem CID 146277523) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)ethyl-methylcarbamic acid.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)ethyl-methylcarbamic acid
PubChem CID146277523
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-(3,4-dimethylphenoxy)ethyl-methylcarbamic acid
SMILESCc1ccc(OCCN(C)C(=O)O)cc1C
InChIInChI=1S/C12H17NO3/c1-9-4-5-11(8-10(9)2)16-7-6-13(3)12(14)15/h4-5,8H,6-7H2,1-3H3,(H,14,15)
InChIKeyCDIYRXYHTZVTAW-UHFFFAOYSA-N
XLogP2.29
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3,4-dimethylphenoxy)ethyl]-N-methylbenzamide
CID 178089820
2-(3,4-dimethylphenoxy)-N,N-dimethylethanamine
CID 82075858
2-(4-aminophenoxy)ethyl-methylcarbamic acid
CID 67422693
4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene
CID 2195047
N-[2-(4-chlorophenoxy)ethyl]-N,3,4-trimethylbenzamide
CID 112792740
N-(2-cyanoethyl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide
CID 43243762
4-[4-(3,4-dimethylphenoxy)butoxy]-1,2-dimethylbenzene
CID 2227623
N-[2-(3,4-dimethylphenoxy)ethyl]-2-methoxyethanamine;oxalic acid
CID 2865858
2-(4-chloroquinolin-7-yl)oxyethyl-methylcarbamic acid
CID 174166475
2-[4-(3,4-dimethylphenoxy)butanoyl-methylamino]propanoic acid
CID 119358257
N-(3-amino-4-methylpentyl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide;hydrochloride
CID 119661117
1,2-dimethyl-4-propoxybenzene
CID 23549082

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)ethyl-methylcarbamic acid?
The IUPAC name of 2-(3,4-dimethylphenoxy)ethyl-methylcarbamic acid (CID 146277523) is 2-(3,4-dimethylphenoxy)ethyl-methylcarbamic acid.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)ethyl-methylcarbamic acid?
The canonical SMILES for 2-(3,4-dimethylphenoxy)ethyl-methylcarbamic acid is Cc1ccc(OCCN(C)C(=O)O)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)ethyl-methylcarbamic acid?
The InChIKey is CDIYRXYHTZVTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-9-4-5-11(8-10(9)2)16-7-6-13(3)12(14)15/h4-5,8H,6-7H2,1-3H3,(H,14,15).
What are the key properties of 2-(3,4-dimethylphenoxy)ethyl-methylcarbamic acid?
2-(3,4-dimethylphenoxy)ethyl-methylcarbamic acid has a molecular weight of 223.27 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)ethyl-methylcarbamic acid is sourced from PubChem (CID 146277523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).