2-(2-methoxy-3,4,6-trimethylphenyl)ethylcarbamic acid

C13H19NO3 — CID 115171197

IUPAC2-(2-methoxy-3,4,6-trimethylphenyl)ethylcarbamic acid
SMILESCOc1c(C)c(C)cc(C)c1CCNC(=O)O
InChIInChI=1S/C13H19NO3/c1-8-7-9(2)11(5-6-14-13(15)16)12(17-4)10(8)3/h7,14H,5-6H2,1-4H3,(H,15,16)
InChIKeyVHXUULQCQGJEBW-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.43
Rot. Bonds4

About 2-(2-methoxy-3,4,6-trimethylphenyl)ethylcarbamic acid

2-(2-methoxy-3,4,6-trimethylphenyl)ethylcarbamic acid (PubChem CID 115171197) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(2-methoxy-3,4,6-trimethylphenyl)ethylcarbamic acid.

Molecular Properties

Compound Name2-(2-methoxy-3,4,6-trimethylphenyl)ethylcarbamic acid
PubChem CID115171197
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-(2-methoxy-3,4,6-trimethylphenyl)ethylcarbamic acid
SMILESCOc1c(C)c(C)cc(C)c1CCNC(=O)O
InChIInChI=1S/C13H19NO3/c1-8-7-9(2)11(5-6-14-13(15)16)12(17-4)10(8)3/h7,14H,5-6H2,1-4H3,(H,15,16)
InChIKeyVHXUULQCQGJEBW-UHFFFAOYSA-N
XLogP2.43
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methoxy-3,4,6-trimethylphenyl)ethylcarbamothioic S-acid
CID 115170353
methyl 2-[2-(2-methoxy-3,4,6-trimethylphenyl)ethylamino]acetate
CID 115233101
2-(2-methoxy-4,6-dimethylphenyl)ethylcarbamic acid
CID 115171165
3-(2-methoxy-3,4,6-trimethylphenyl)-N',N'-dimethylpropanehydrazide
CID 116847658
N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-3-(methylamino)propanamide
CID 115153253
2-(2-methoxy-3,4,6-trimethylphenyl)ethanethiol
CID 116927327
2-chloro-N-[2-(2,3,5,6-tetramethylphenyl)ethyl]acetamide
CID 115162114
N'-[2-(2-methoxy-3,4,6-trimethylphenyl)ethyl]-2-methylpropane-1,3-diamine
CID 115198816
2-[(2-methoxy-3,4,6-trimethylphenyl)methylamino]acetamide
CID 115259952
2-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-3-methylbutanoic acid
CID 116930731
2-(4-methoxy-2,3,6-trimethylphenyl)ethylurea
CID 115168578
2-(2-methoxy-4,5-dimethylphenyl)ethylcarbamic acid
CID 115171106

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-3,4,6-trimethylphenyl)ethylcarbamic acid?
The IUPAC name of 2-(2-methoxy-3,4,6-trimethylphenyl)ethylcarbamic acid (CID 115171197) is 2-(2-methoxy-3,4,6-trimethylphenyl)ethylcarbamic acid.
What is the SMILES notation for 2-(2-methoxy-3,4,6-trimethylphenyl)ethylcarbamic acid?
The canonical SMILES for 2-(2-methoxy-3,4,6-trimethylphenyl)ethylcarbamic acid is COc1c(C)c(C)cc(C)c1CCNC(=O)O.
What is the InChIKey of 2-(2-methoxy-3,4,6-trimethylphenyl)ethylcarbamic acid?
The InChIKey is VHXUULQCQGJEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-8-7-9(2)11(5-6-14-13(15)16)12(17-4)10(8)3/h7,14H,5-6H2,1-4H3,(H,15,16).
What are the key properties of 2-(2-methoxy-3,4,6-trimethylphenyl)ethylcarbamic acid?
2-(2-methoxy-3,4,6-trimethylphenyl)ethylcarbamic acid has a molecular weight of 237.30 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-3,4,6-trimethylphenyl)ethylcarbamic acid is sourced from PubChem (CID 115171197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).