2-[1-[2-(2-ethoxyanilino)-2-oxoethyl]cyclohexyl]acetic acid

C18H25NO4 — CID 31616843

IUPAC2-[1-[2-(2-ethoxyanilino)-2-oxoethyl]cyclohexyl]acetic acid
SMILESCCOc1ccccc1NC(=O)CC1(CC(=O)O)CCCCC1
InChIInChI=1S/C18H25NO4/c1-2-23-15-9-5-4-8-14(15)19-16(20)12-18(13-17(21)22)10-6-3-7-11-18/h4-5,8-9H,2-3,6-7,10-13H2,1H3,(H,19,20)(H,21,22)
InChIKeyMSXACMZAZVKUEF-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.84
Rot. Bonds7

About 2-[1-[2-(2-ethoxyanilino)-2-oxoethyl]cyclohexyl]acetic acid

2-[1-[2-(2-ethoxyanilino)-2-oxoethyl]cyclohexyl]acetic acid (PubChem CID 31616843) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-[1-[2-(2-ethoxyanilino)-2-oxoethyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(2-ethoxyanilino)-2-oxoethyl]cyclohexyl]acetic acid
PubChem CID31616843
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name2-[1-[2-(2-ethoxyanilino)-2-oxoethyl]cyclohexyl]acetic acid
SMILESCCOc1ccccc1NC(=O)CC1(CC(=O)O)CCCCC1
InChIInChI=1S/C18H25NO4/c1-2-23-15-9-5-4-8-14(15)19-16(20)12-18(13-17(21)22)10-6-3-7-11-18/h4-5,8-9H,2-3,6-7,10-13H2,1H3,(H,19,20)(H,21,22)
InChIKeyMSXACMZAZVKUEF-UHFFFAOYSA-N
XLogP3.84
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethoxyphenyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111432228
2-[1-[2-(2-fluoroanilino)-2-oxoethyl]cyclopentyl]acetic acid
CID 60662542
2-[1-(aminomethyl)cyclobutyl]-N-(2-propoxyphenyl)acetamide
CID 81179040
2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetic acid
CID 65498468
CID 174193763
CID 174193763
methyl 3-(2-ethoxyanilino)-3-oxopropanoate
CID 28637956
2-[1-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethyl]cyclohexyl]acetic acid
CID 119109721
2-[1-[2-(2-methyl-3-nitroanilino)-2-oxoethyl]cyclohexyl]acetic acid
CID 39729008
2-[(2-ethoxyphenyl)carbamoyl]cyclopentene-1-carboxylic acid
CID 68838404
2-(1-hydroxycyclohexyl)-N-(2-methoxyphenyl)acetamide
CID 111331493
N-(2-ethoxyphenyl)-3-phenylpropanamide
CID 849126
1-amino-N-(2-ethoxyphenyl)cyclopropane-1-carboxamide
CID 65463762

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-ethoxyanilino)-2-oxoethyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[2-(2-ethoxyanilino)-2-oxoethyl]cyclohexyl]acetic acid (CID 31616843) is 2-[1-[2-(2-ethoxyanilino)-2-oxoethyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(2-ethoxyanilino)-2-oxoethyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[2-(2-ethoxyanilino)-2-oxoethyl]cyclohexyl]acetic acid is CCOc1ccccc1NC(=O)CC1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[2-(2-ethoxyanilino)-2-oxoethyl]cyclohexyl]acetic acid?
The InChIKey is MSXACMZAZVKUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-2-23-15-9-5-4-8-14(15)19-16(20)12-18(13-17(21)22)10-6-3-7-11-18/h4-5,8-9H,2-3,6-7,10-13H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 2-[1-[2-(2-ethoxyanilino)-2-oxoethyl]cyclohexyl]acetic acid?
2-[1-[2-(2-ethoxyanilino)-2-oxoethyl]cyclohexyl]acetic acid has a molecular weight of 319.40 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-ethoxyanilino)-2-oxoethyl]cyclohexyl]acetic acid is sourced from PubChem (CID 31616843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).