[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-[2-(2-methylanilino)-2-oxoethyl]-propylazanium

C22H34N3O2+ — CID 8810031

IUPAC[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-[2-(2-methylanilino)-2-oxoethyl]-propylazanium
SMILESCCC[NH+](CC(=O)NCCC1=CCCCC1)CC(=O)Nc1ccccc1C
InChIInChI=1S/C22H33N3O2/c1-3-15-25(17-22(27)24-20-12-8-7-9-18(20)2)16-21(26)23-14-13-19-10-5-4-6-11-19/h7-10,12H,3-6,11,13-17H2,1-2H3,(H,23,26)(H,24,27)/p+1
InChIKeyXEJHISATWISWBY-UHFFFAOYSA-O
MW372.53 g/mol
LogP2.24
Rot. Bonds10

About [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-[2-(2-methylanilino)-2-oxoethyl]-propylazanium

[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-[2-(2-methylanilino)-2-oxoethyl]-propylazanium (PubChem CID 8810031) has the molecular formula C22H34N3O2+ and a molecular weight of 372.53 g/mol. Its IUPAC name is [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-[2-(2-methylanilino)-2-oxoethyl]-propylazanium.

Molecular Properties

Compound Name[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-[2-(2-methylanilino)-2-oxoethyl]-propylazanium
PubChem CID8810031
Molecular FormulaC22H34N3O2+
Molecular Weight372.53 g/mol
Exact Mass372.26
IUPAC Name[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-[2-(2-methylanilino)-2-oxoethyl]-propylazanium
SMILESCCC[NH+](CC(=O)NCCC1=CCCCC1)CC(=O)Nc1ccccc1C
InChIInChI=1S/C22H33N3O2/c1-3-15-25(17-22(27)24-20-12-8-7-9-18(20)2)16-21(26)23-14-13-19-10-5-4-6-11-19/h7-10,12H,3-6,11,13-17H2,1-2H3,(H,23,26)(H,24,27)/p+1
InChIKeyXEJHISATWISWBY-UHFFFAOYSA-O
XLogP2.24
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide
CID 8810032
[2-(2-methylanilino)-2-oxoethyl]-[2-(3-methylbutylamino)-2-oxoethyl]-propylazanium
CID 8810025
[2-(cyclohexylmethylamino)-2-oxoethyl]-[2-(2-methylanilino)-2-oxoethyl]-propylazanium
CID 8809985
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-[2-(2-methylanilino)-2-oxoethyl]-propylazanium
CID 9039158
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9435209
methyl 2-[[3-[2-(cyclohexen-1-yl)ethylamino]-3-oxopropanoyl]amino]benzoate
CID 108943004
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,6-dimethylphenoxy)acetamide
CID 837554
N-(cyclohexen-1-ylmethyl)-N'-(2-methylphenyl)oxamide
CID 43917175
1-[2-(cyclohexen-1-yl)ethyl]-3-(2,6-dimethylphenyl)urea
CID 4995212
N-[2-(cyclohexen-1-yl)ethyl]-N'-[4-(diethylamino)-2-methylphenyl]propanediamide
CID 108943043
5-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]sulfanylmethyl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46319687
2-(2-bromoanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 54816624

Frequently Asked Questions

What is the IUPAC name of [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-[2-(2-methylanilino)-2-oxoethyl]-propylazanium?
The IUPAC name of [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-[2-(2-methylanilino)-2-oxoethyl]-propylazanium (CID 8810031) is [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-[2-(2-methylanilino)-2-oxoethyl]-propylazanium.
What is the SMILES notation for [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-[2-(2-methylanilino)-2-oxoethyl]-propylazanium?
The canonical SMILES for [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-[2-(2-methylanilino)-2-oxoethyl]-propylazanium is CCC[NH+](CC(=O)NCCC1=CCCCC1)CC(=O)Nc1ccccc1C.
What is the InChIKey of [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-[2-(2-methylanilino)-2-oxoethyl]-propylazanium?
The InChIKey is XEJHISATWISWBY-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H33N3O2/c1-3-15-25(17-22(27)24-20-12-8-7-9-18(20)2)16-21(26)23-14-13-19-10-5-4-6-11-19/h7-10,12H,3-6,11,13-17H2,1-2H3,(H,23,26)(H,24,27)/p+1.
What are the key properties of [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-[2-(2-methylanilino)-2-oxoethyl]-propylazanium?
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-[2-(2-methylanilino)-2-oxoethyl]-propylazanium has a molecular weight of 372.53 g/mol, XLogP of 2.24, 10 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-[2-(2-methylanilino)-2-oxoethyl]-propylazanium is sourced from PubChem (CID 8810031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).