cyclohexyl-[[2-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]phenyl]methyl]-methylazanium

C24H34N3O2+ — CID 9104659

IUPACcyclohexyl-[[2-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]phenyl]methyl]-methylazanium
SMILESCCOc1ccccc1NC(=O)CNc1ccccc1C[NH+](C)C1CCCCC1
InChIInChI=1S/C24H33N3O2/c1-3-29-23-16-10-9-15-22(23)26-24(28)17-25-21-14-8-7-11-19(21)18-27(2)20-12-5-4-6-13-20/h7-11,14-16,20,25H,3-6,12-13,17-18H2,1-2H3,(H,26,28)/p+1
InChIKeyIMYDBGCBBXGYJE-UHFFFAOYSA-O
MW396.56 g/mol
LogP3.48
Rot. Bonds9

About cyclohexyl-[[2-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]phenyl]methyl]-methylazanium

cyclohexyl-[[2-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]phenyl]methyl]-methylazanium (PubChem CID 9104659) has the molecular formula C24H34N3O2+ and a molecular weight of 396.56 g/mol. Its IUPAC name is cyclohexyl-[[2-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]phenyl]methyl]-methylazanium.

Molecular Properties

Compound Namecyclohexyl-[[2-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]phenyl]methyl]-methylazanium
PubChem CID9104659
Molecular FormulaC24H34N3O2+
Molecular Weight396.56 g/mol
Exact Mass396.26
IUPAC Namecyclohexyl-[[2-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]phenyl]methyl]-methylazanium
SMILESCCOc1ccccc1NC(=O)CNc1ccccc1C[NH+](C)C1CCCCC1
InChIInChI=1S/C24H33N3O2/c1-3-29-23-16-10-9-15-22(23)26-24(28)17-25-21-14-8-7-11-19(21)18-27(2)20-12-5-4-6-13-20/h7-11,14-16,20,25H,3-6,12-13,17-18H2,1-2H3,(H,26,28)/p+1
InChIKeyIMYDBGCBBXGYJE-UHFFFAOYSA-O
XLogP3.48
TPSA54.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]phenyl]methyl-cyclohexyl-methylazanium
CID 2532502
[2-[[2-(2-chloro-5-nitroanilino)-2-oxoethyl]amino]phenyl]methyl-cyclohexyl-methylazanium
CID 2420495
2-(cyclohexylcarbamoylamino)-N-(2-ethoxyphenyl)acetamide
CID 112998805
2-(2-ethoxyanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54817509
N-(2,6-diethylphenyl)-2-(2-ethoxyanilino)acetamide
CID 8965705
N-(2-ethoxyphenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54827090
2-(2-ethoxyanilino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 54817274
N-[3-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 38773224
ethyl 2-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]benzoate
CID 109009177
N-[2-(difluoromethoxy)phenyl]-2-(2-ethoxyanilino)acetamide
CID 9102233
N-cyclohexyl-N'-(2-ethoxyphenyl)oxamide
CID 7585382
N-(2-ethoxyphenyl)-2-(5-fluoro-2-methylanilino)acetamide
CID 2516932

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[[2-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]phenyl]methyl]-methylazanium?
The IUPAC name of cyclohexyl-[[2-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]phenyl]methyl]-methylazanium (CID 9104659) is cyclohexyl-[[2-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]phenyl]methyl]-methylazanium.
What is the SMILES notation for cyclohexyl-[[2-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]phenyl]methyl]-methylazanium?
The canonical SMILES for cyclohexyl-[[2-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]phenyl]methyl]-methylazanium is CCOc1ccccc1NC(=O)CNc1ccccc1C[NH+](C)C1CCCCC1.
What is the InChIKey of cyclohexyl-[[2-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]phenyl]methyl]-methylazanium?
The InChIKey is IMYDBGCBBXGYJE-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H33N3O2/c1-3-29-23-16-10-9-15-22(23)26-24(28)17-25-21-14-8-7-11-19(21)18-27(2)20-12-5-4-6-13-20/h7-11,14-16,20,25H,3-6,12-13,17-18H2,1-2H3,(H,26,28)/p+1.
What are the key properties of cyclohexyl-[[2-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]phenyl]methyl]-methylazanium?
cyclohexyl-[[2-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]phenyl]methyl]-methylazanium has a molecular weight of 396.56 g/mol, XLogP of 3.48, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[[2-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]phenyl]methyl]-methylazanium is sourced from PubChem (CID 9104659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).