ethyl-(2,3,4-trimethylphenyl)carbamic acid

C12H17NO2 — CID 57360531

IUPACethyl-(2,3,4-trimethylphenyl)carbamic acid
SMILESCCN(C(=O)O)c1ccc(C)c(C)c1C
InChIInChI=1S/C12H17NO2/c1-5-13(12(14)15)11-7-6-8(2)9(3)10(11)4/h6-7H,5H2,1-4H3,(H,14,15)
InChIKeyXEIDBDGDIGFZNT-UHFFFAOYSA-N
MW207.27 g/mol
LogP3.12
Rot. Bonds2

About ethyl-(2,3,4-trimethylphenyl)carbamic acid

ethyl-(2,3,4-trimethylphenyl)carbamic acid (PubChem CID 57360531) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is ethyl-(2,3,4-trimethylphenyl)carbamic acid.

Molecular Properties

Compound Nameethyl-(2,3,4-trimethylphenyl)carbamic acid
PubChem CID57360531
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Nameethyl-(2,3,4-trimethylphenyl)carbamic acid
SMILESCCN(C(=O)O)c1ccc(C)c(C)c1C
InChIInChI=1S/C12H17NO2/c1-5-13(12(14)15)11-7-6-8(2)9(3)10(11)4/h6-7H,5H2,1-4H3,(H,14,15)
InChIKeyXEIDBDGDIGFZNT-UHFFFAOYSA-N
XLogP3.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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[3-[[3-[carboxy(ethyl)amino]-4-methylphenyl]carbamoylamino]-4-methylphenyl]-ethylcarbamic acid
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Frequently Asked Questions

What is the IUPAC name of ethyl-(2,3,4-trimethylphenyl)carbamic acid?
The IUPAC name of ethyl-(2,3,4-trimethylphenyl)carbamic acid (CID 57360531) is ethyl-(2,3,4-trimethylphenyl)carbamic acid.
What is the SMILES notation for ethyl-(2,3,4-trimethylphenyl)carbamic acid?
The canonical SMILES for ethyl-(2,3,4-trimethylphenyl)carbamic acid is CCN(C(=O)O)c1ccc(C)c(C)c1C.
What is the InChIKey of ethyl-(2,3,4-trimethylphenyl)carbamic acid?
The InChIKey is XEIDBDGDIGFZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-5-13(12(14)15)11-7-6-8(2)9(3)10(11)4/h6-7H,5H2,1-4H3,(H,14,15).
What are the key properties of ethyl-(2,3,4-trimethylphenyl)carbamic acid?
ethyl-(2,3,4-trimethylphenyl)carbamic acid has a molecular weight of 207.27 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-(2,3,4-trimethylphenyl)carbamic acid is sourced from PubChem (CID 57360531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).