2-(2-methoxy-4,5-dimethylphenyl)ethylcarbamic acid

C12H17NO3 — CID 115171106

IUPAC2-(2-methoxy-4,5-dimethylphenyl)ethylcarbamic acid
SMILESCOc1cc(C)c(C)cc1CCNC(=O)O
InChIInChI=1S/C12H17NO3/c1-8-6-10(4-5-13-12(14)15)11(16-3)7-9(8)2/h6-7,13H,4-5H2,1-3H3,(H,14,15)
InChIKeyRNGCYMQOCYGAAD-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.12
Rot. Bonds4

About 2-(2-methoxy-4,5-dimethylphenyl)ethylcarbamic acid

2-(2-methoxy-4,5-dimethylphenyl)ethylcarbamic acid (PubChem CID 115171106) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-(2-methoxy-4,5-dimethylphenyl)ethylcarbamic acid.

Molecular Properties

Compound Name2-(2-methoxy-4,5-dimethylphenyl)ethylcarbamic acid
PubChem CID115171106
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-(2-methoxy-4,5-dimethylphenyl)ethylcarbamic acid
SMILESCOc1cc(C)c(C)cc1CCNC(=O)O
InChIInChI=1S/C12H17NO3/c1-8-6-10(4-5-13-12(14)15)11(16-3)7-9(8)2/h6-7,13H,4-5H2,1-3H3,(H,14,15)
InChIKeyRNGCYMQOCYGAAD-UHFFFAOYSA-N
XLogP2.12
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-2-hydroxyacetamide
CID 115140079
2-(5-chloro-2-methoxyphenyl)ethylcarbamic acid
CID 115171089
4-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]butanoic acid
CID 115218709
3-cyano-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]propanamide
CID 115173936
2-(2,5-difluoro-4-methoxyphenyl)ethylcarbamic acid
CID 115171185
4-acetamido-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]benzamide
CID 110795325
3-amino-N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]propanamide
CID 115153004
2-(2-methoxy-4,6-dimethylphenyl)ethylcarbamic acid
CID 115171165
N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyridine-2-carboxamide
CID 110795315
N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]-2-sulfanylacetamide
CID 115167371
methyl 4-(2-methoxy-4,5-dimethylphenyl)butanoate
CID 82350341
2-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]acetaldehyde
CID 115223198

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4,5-dimethylphenyl)ethylcarbamic acid?
The IUPAC name of 2-(2-methoxy-4,5-dimethylphenyl)ethylcarbamic acid (CID 115171106) is 2-(2-methoxy-4,5-dimethylphenyl)ethylcarbamic acid.
What is the SMILES notation for 2-(2-methoxy-4,5-dimethylphenyl)ethylcarbamic acid?
The canonical SMILES for 2-(2-methoxy-4,5-dimethylphenyl)ethylcarbamic acid is COc1cc(C)c(C)cc1CCNC(=O)O.
What is the InChIKey of 2-(2-methoxy-4,5-dimethylphenyl)ethylcarbamic acid?
The InChIKey is RNGCYMQOCYGAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8-6-10(4-5-13-12(14)15)11(16-3)7-9(8)2/h6-7,13H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 2-(2-methoxy-4,5-dimethylphenyl)ethylcarbamic acid?
2-(2-methoxy-4,5-dimethylphenyl)ethylcarbamic acid has a molecular weight of 223.27 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4,5-dimethylphenyl)ethylcarbamic acid is sourced from PubChem (CID 115171106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).