2-(2-cyclohexyl-3-methylphenyl)-2-[ethyl(methyl)amino]acetic acid

C18H27NO2 — CID 176947471

IUPAC2-(2-cyclohexyl-3-methylphenyl)-2-[ethyl(methyl)amino]acetic acid
SMILESCCN(C)C(C(=O)O)c1cccc(C)c1C1CCCCC1
InChIInChI=1S/C18H27NO2/c1-4-19(3)17(18(20)21)15-12-8-9-13(2)16(15)14-10-6-5-7-11-14/h8-9,12,14,17H,4-7,10-11H2,1-3H3,(H,20,21)
InChIKeyABXKDTRTGFYMLU-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.12
Rot. Bonds5

About 2-(2-cyclohexyl-3-methylphenyl)-2-[ethyl(methyl)amino]acetic acid

2-(2-cyclohexyl-3-methylphenyl)-2-[ethyl(methyl)amino]acetic acid (PubChem CID 176947471) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(2-cyclohexyl-3-methylphenyl)-2-[ethyl(methyl)amino]acetic acid.

Molecular Properties

Compound Name2-(2-cyclohexyl-3-methylphenyl)-2-[ethyl(methyl)amino]acetic acid
PubChem CID176947471
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-(2-cyclohexyl-3-methylphenyl)-2-[ethyl(methyl)amino]acetic acid
SMILESCCN(C)C(C(=O)O)c1cccc(C)c1C1CCCCC1
InChIInChI=1S/C18H27NO2/c1-4-19(3)17(18(20)21)15-12-8-9-13(2)16(15)14-10-6-5-7-11-14/h8-9,12,14,17H,4-7,10-11H2,1-3H3,(H,20,21)
InChIKeyABXKDTRTGFYMLU-UHFFFAOYSA-N
XLogP4.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexyl-3-methylphenyl)-2-[ethyl(methyl)amino]acetic acid?
The IUPAC name of 2-(2-cyclohexyl-3-methylphenyl)-2-[ethyl(methyl)amino]acetic acid (CID 176947471) is 2-(2-cyclohexyl-3-methylphenyl)-2-[ethyl(methyl)amino]acetic acid.
What is the SMILES notation for 2-(2-cyclohexyl-3-methylphenyl)-2-[ethyl(methyl)amino]acetic acid?
The canonical SMILES for 2-(2-cyclohexyl-3-methylphenyl)-2-[ethyl(methyl)amino]acetic acid is CCN(C)C(C(=O)O)c1cccc(C)c1C1CCCCC1.
What is the InChIKey of 2-(2-cyclohexyl-3-methylphenyl)-2-[ethyl(methyl)amino]acetic acid?
The InChIKey is ABXKDTRTGFYMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-4-19(3)17(18(20)21)15-12-8-9-13(2)16(15)14-10-6-5-7-11-14/h8-9,12,14,17H,4-7,10-11H2,1-3H3,(H,20,21).
What are the key properties of 2-(2-cyclohexyl-3-methylphenyl)-2-[ethyl(methyl)amino]acetic acid?
2-(2-cyclohexyl-3-methylphenyl)-2-[ethyl(methyl)amino]acetic acid has a molecular weight of 289.42 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexyl-3-methylphenyl)-2-[ethyl(methyl)amino]acetic acid is sourced from PubChem (CID 176947471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).