2-(4-methoxy-2,3,5-trimethylphenyl)ethyl-methylcarbamic acid

C14H21NO3 — CID 115171275

IUPAC2-(4-methoxy-2,3,5-trimethylphenyl)ethyl-methylcarbamic acid
SMILESCOc1c(C)cc(CCN(C)C(=O)O)c(C)c1C
InChIInChI=1S/C14H21NO3/c1-9-8-12(6-7-15(4)14(16)17)10(2)11(3)13(9)18-5/h8H,6-7H2,1-5H3,(H,16,17)
InChIKeyZJQZYSRDELGXTG-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.77
Rot. Bonds4

About 2-(4-methoxy-2,3,5-trimethylphenyl)ethyl-methylcarbamic acid

2-(4-methoxy-2,3,5-trimethylphenyl)ethyl-methylcarbamic acid (PubChem CID 115171275) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(4-methoxy-2,3,5-trimethylphenyl)ethyl-methylcarbamic acid.

Molecular Properties

Compound Name2-(4-methoxy-2,3,5-trimethylphenyl)ethyl-methylcarbamic acid
PubChem CID115171275
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-(4-methoxy-2,3,5-trimethylphenyl)ethyl-methylcarbamic acid
SMILESCOc1c(C)cc(CCN(C)C(=O)O)c(C)c1C
InChIInChI=1S/C14H21NO3/c1-9-8-12(6-7-15(4)14(16)17)10(2)11(3)13(9)18-5/h8H,6-7H2,1-5H3,(H,16,17)
InChIKeyZJQZYSRDELGXTG-UHFFFAOYSA-N
XLogP2.77
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-methoxy-2,3,5-trimethylphenyl)ethyl-methylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl-methylamino]acetamide
CID 115260246
(4-methoxy-2,3,5-trimethylphenyl)methylcarbamic acid
CID 115170855
N-(2-chloroethyl)-2-(4-methoxy-2,3,5-trimethylphenyl)-N-methylethanamine
CID 115215197
2-(4-methoxy-2,3,5-trimethylphenyl)ethanol
CID 82469086
2-(4-methoxy-N,2,3,5-tetramethylanilino)-2-oxoacetic acid
CID 115141236
4-[(4-methoxy-2,3,5-trimethylphenyl)methyl-methylamino]butan-2-one
CID 115235813
1-ethyl-4-methoxy-2,3,5-trimethylbenzene
CID 20747709
4-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutanoic acid
CID 116926839
2-(2,4-dimethylphenyl)ethyl-methylcarbamic acid
CID 115171227
N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-N-methylcarbamoyl bromide
CID 115194099
1-[2-(2,5-dimethoxy-3,4-dimethylphenyl)ethyl]-1-methylurea
CID 115168734
2-(4-methoxy-2,3,5-trimethylphenyl)ethyl 2-aminopropanoate
CID 112514975

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2,3,5-trimethylphenyl)ethyl-methylcarbamic acid?
The IUPAC name of 2-(4-methoxy-2,3,5-trimethylphenyl)ethyl-methylcarbamic acid (CID 115171275) is 2-(4-methoxy-2,3,5-trimethylphenyl)ethyl-methylcarbamic acid.
What is the SMILES notation for 2-(4-methoxy-2,3,5-trimethylphenyl)ethyl-methylcarbamic acid?
The canonical SMILES for 2-(4-methoxy-2,3,5-trimethylphenyl)ethyl-methylcarbamic acid is COc1c(C)cc(CCN(C)C(=O)O)c(C)c1C.
What is the InChIKey of 2-(4-methoxy-2,3,5-trimethylphenyl)ethyl-methylcarbamic acid?
The InChIKey is ZJQZYSRDELGXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-9-8-12(6-7-15(4)14(16)17)10(2)11(3)13(9)18-5/h8H,6-7H2,1-5H3,(H,16,17).
What are the key properties of 2-(4-methoxy-2,3,5-trimethylphenyl)ethyl-methylcarbamic acid?
2-(4-methoxy-2,3,5-trimethylphenyl)ethyl-methylcarbamic acid has a molecular weight of 251.33 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2,3,5-trimethylphenyl)ethyl-methylcarbamic acid is sourced from PubChem (CID 115171275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).