[2-(cyclohexylamino)-2-oxoethyl]-[2-(2-methoxyanilino)-2-oxoethyl]-propylazanium

C20H32N3O3+ — CID 9169067

IUPAC[2-(cyclohexylamino)-2-oxoethyl]-[2-(2-methoxyanilino)-2-oxoethyl]-propylazanium
SMILESCCC[NH+](CC(=O)Nc1ccccc1OC)CC(=O)NC1CCCCC1
InChIInChI=1S/C20H31N3O3/c1-3-13-23(14-19(24)21-16-9-5-4-6-10-16)15-20(25)22-17-11-7-8-12-18(17)26-2/h7-8,11-12,16H,3-6,9-10,13-15H2,1-2H3,(H,21,24)(H,22,25)/p+1
InChIKeyJVPICTGQFMJEKE-UHFFFAOYSA-O
MW362.49 g/mol
LogP1.38
Rot. Bonds9

About [2-(cyclohexylamino)-2-oxoethyl]-[2-(2-methoxyanilino)-2-oxoethyl]-propylazanium

[2-(cyclohexylamino)-2-oxoethyl]-[2-(2-methoxyanilino)-2-oxoethyl]-propylazanium (PubChem CID 9169067) has the molecular formula C20H32N3O3+ and a molecular weight of 362.49 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxoethyl]-[2-(2-methoxyanilino)-2-oxoethyl]-propylazanium.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxoethyl]-[2-(2-methoxyanilino)-2-oxoethyl]-propylazanium
PubChem CID9169067
Molecular FormulaC20H32N3O3+
Molecular Weight362.49 g/mol
Exact Mass362.24
IUPAC Name[2-(cyclohexylamino)-2-oxoethyl]-[2-(2-methoxyanilino)-2-oxoethyl]-propylazanium
SMILESCCC[NH+](CC(=O)Nc1ccccc1OC)CC(=O)NC1CCCCC1
InChIInChI=1S/C20H31N3O3/c1-3-13-23(14-19(24)21-16-9-5-4-6-10-16)15-20(25)22-17-11-7-8-12-18(17)26-2/h7-8,11-12,16H,3-6,9-10,13-15H2,1-2H3,(H,21,24)(H,22,25)/p+1
InChIKeyJVPICTGQFMJEKE-UHFFFAOYSA-O
XLogP1.38
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.49
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclooctyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide
CID 27098874
N-cyclohexyl-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide
CID 40588524
[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 9029443
diethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 7447498
[2-(cyclopropylamino)-2-oxoethyl]-[2-(2-ethoxyanilino)-2-oxoethyl]-methylazanium
CID 9052823
[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]methyl-[2-(2-methoxyanilino)-2-oxoethyl]-propylazanium
CID 11924430
[2-(cyclohexylmethylamino)-2-oxoethyl]-[2-(2-methylanilino)-2-oxoethyl]-propylazanium
CID 8809985
[2-(3-chloro-4-methylanilino)-2-oxoethyl]-[2-(2-methoxyanilino)-2-oxoethyl]-propylazanium
CID 9168816
2-cyclohexyl-N-(2-methoxyphenyl)acetamide
CID 880879
3-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 56525571
N-cyclopentyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108942247
2-(2-acetamidophenoxy)-N-cyclooctylacetamide
CID 17457791

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxoethyl]-[2-(2-methoxyanilino)-2-oxoethyl]-propylazanium?
The IUPAC name of [2-(cyclohexylamino)-2-oxoethyl]-[2-(2-methoxyanilino)-2-oxoethyl]-propylazanium (CID 9169067) is [2-(cyclohexylamino)-2-oxoethyl]-[2-(2-methoxyanilino)-2-oxoethyl]-propylazanium.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxoethyl]-[2-(2-methoxyanilino)-2-oxoethyl]-propylazanium?
The canonical SMILES for [2-(cyclohexylamino)-2-oxoethyl]-[2-(2-methoxyanilino)-2-oxoethyl]-propylazanium is CCC[NH+](CC(=O)Nc1ccccc1OC)CC(=O)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylamino)-2-oxoethyl]-[2-(2-methoxyanilino)-2-oxoethyl]-propylazanium?
The InChIKey is JVPICTGQFMJEKE-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H31N3O3/c1-3-13-23(14-19(24)21-16-9-5-4-6-10-16)15-20(25)22-17-11-7-8-12-18(17)26-2/h7-8,11-12,16H,3-6,9-10,13-15H2,1-2H3,(H,21,24)(H,22,25)/p+1.
What are the key properties of [2-(cyclohexylamino)-2-oxoethyl]-[2-(2-methoxyanilino)-2-oxoethyl]-propylazanium?
[2-(cyclohexylamino)-2-oxoethyl]-[2-(2-methoxyanilino)-2-oxoethyl]-propylazanium has a molecular weight of 362.49 g/mol, XLogP of 1.38, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-2-oxoethyl]-[2-(2-methoxyanilino)-2-oxoethyl]-propylazanium is sourced from PubChem (CID 9169067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).