2-[[2-(2-ethylphenoxy)acetyl]amino]-2-methylcyclohexane-1-carboxylic acid

C18H25NO4 — CID 120546195

IUPAC2-[[2-(2-ethylphenoxy)acetyl]amino]-2-methylcyclohexane-1-carboxylic acid
SMILESCCc1ccccc1OCC(=O)NC1(C)CCCCC1C(=O)O
InChIInChI=1S/C18H25NO4/c1-3-13-8-4-5-10-15(13)23-12-16(20)19-18(2)11-7-6-9-14(18)17(21)22/h4-5,8,10,14H,3,6-7,9,11-12H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyQZQHJAUHFZIEAT-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.78
Rot. Bonds6

About 2-[[2-(2-ethylphenoxy)acetyl]amino]-2-methylcyclohexane-1-carboxylic acid

2-[[2-(2-ethylphenoxy)acetyl]amino]-2-methylcyclohexane-1-carboxylic acid (PubChem CID 120546195) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-[[2-(2-ethylphenoxy)acetyl]amino]-2-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(2-ethylphenoxy)acetyl]amino]-2-methylcyclohexane-1-carboxylic acid
PubChem CID120546195
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name2-[[2-(2-ethylphenoxy)acetyl]amino]-2-methylcyclohexane-1-carboxylic acid
SMILESCCc1ccccc1OCC(=O)NC1(C)CCCCC1C(=O)O
InChIInChI=1S/C18H25NO4/c1-3-13-8-4-5-10-15(13)23-12-16(20)19-18(2)11-7-6-9-14(18)17(21)22/h4-5,8,10,14H,3,6-7,9,11-12H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyQZQHJAUHFZIEAT-UHFFFAOYSA-N
XLogP2.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[(2-phenylacetyl)amino]cyclohexane-1-carboxylic acid
CID 120546506
2-[(2-butan-2-yloxyacetyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 120546535
2-methyl-2-[[2-(4-methylphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 120546221
2-methyl-2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid
CID 120545686
2-[(3-ethylthiophene-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 120546463
2-(butanoylamino)-2-methylcyclohexane-1-carboxylic acid
CID 120545841
2-[(3-acetamido-3-phenylpropanoyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 120546015
2-[3-(2,5-dimethoxyphenyl)propanoylamino]-2-methylcyclohexane-1-carboxylic acid
CID 120545156
N'-(2-chloroacetyl)-2-(2-ethylphenoxy)acetohydrazide
CID 166414704
2-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 120546347
2-[3-(1H-indol-3-yl)propanoylamino]-2-methylcyclohexane-1-carboxylic acid
CID 120546197
cis-(1S,2R)-2-methyl-2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 129468375

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-ethylphenoxy)acetyl]amino]-2-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[2-(2-ethylphenoxy)acetyl]amino]-2-methylcyclohexane-1-carboxylic acid (CID 120546195) is 2-[[2-(2-ethylphenoxy)acetyl]amino]-2-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-(2-ethylphenoxy)acetyl]amino]-2-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[2-(2-ethylphenoxy)acetyl]amino]-2-methylcyclohexane-1-carboxylic acid is CCc1ccccc1OCC(=O)NC1(C)CCCCC1C(=O)O.
What is the InChIKey of 2-[[2-(2-ethylphenoxy)acetyl]amino]-2-methylcyclohexane-1-carboxylic acid?
The InChIKey is QZQHJAUHFZIEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-3-13-8-4-5-10-15(13)23-12-16(20)19-18(2)11-7-6-9-14(18)17(21)22/h4-5,8,10,14H,3,6-7,9,11-12H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 2-[[2-(2-ethylphenoxy)acetyl]amino]-2-methylcyclohexane-1-carboxylic acid?
2-[[2-(2-ethylphenoxy)acetyl]amino]-2-methylcyclohexane-1-carboxylic acid has a molecular weight of 319.40 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-ethylphenoxy)acetyl]amino]-2-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 120546195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).