[2-(cyclohexylmethylamino)-2-oxoethyl]-[2-(2-methylanilino)-2-oxoethyl]-propylazanium

C21H34N3O2+ — CID 8809985

IUPAC[2-(cyclohexylmethylamino)-2-oxoethyl]-[2-(2-methylanilino)-2-oxoethyl]-propylazanium
SMILESCCC[NH+](CC(=O)NCC1CCCCC1)CC(=O)Nc1ccccc1C
InChIInChI=1S/C21H33N3O2/c1-3-13-24(15-20(25)22-14-18-10-5-4-6-11-18)16-21(26)23-19-12-8-7-9-17(19)2/h7-9,12,18H,3-6,10-11,13-16H2,1-2H3,(H,22,25)(H,23,26)/p+1
InChIKeyUNXGFWQWRDFAFD-UHFFFAOYSA-O
MW360.52 g/mol
LogP1.92
Rot. Bonds9

About [2-(cyclohexylmethylamino)-2-oxoethyl]-[2-(2-methylanilino)-2-oxoethyl]-propylazanium

[2-(cyclohexylmethylamino)-2-oxoethyl]-[2-(2-methylanilino)-2-oxoethyl]-propylazanium (PubChem CID 8809985) has the molecular formula C21H34N3O2+ and a molecular weight of 360.52 g/mol. Its IUPAC name is [2-(cyclohexylmethylamino)-2-oxoethyl]-[2-(2-methylanilino)-2-oxoethyl]-propylazanium.

Molecular Properties

Compound Name[2-(cyclohexylmethylamino)-2-oxoethyl]-[2-(2-methylanilino)-2-oxoethyl]-propylazanium
PubChem CID8809985
Molecular FormulaC21H34N3O2+
Molecular Weight360.52 g/mol
Exact Mass360.26
IUPAC Name[2-(cyclohexylmethylamino)-2-oxoethyl]-[2-(2-methylanilino)-2-oxoethyl]-propylazanium
SMILESCCC[NH+](CC(=O)NCC1CCCCC1)CC(=O)Nc1ccccc1C
InChIInChI=1S/C21H33N3O2/c1-3-13-24(15-20(25)22-14-18-10-5-4-6-11-18)16-21(26)23-19-12-8-7-9-17(19)2/h7-9,12,18H,3-6,10-11,13-16H2,1-2H3,(H,22,25)(H,23,26)/p+1
InChIKeyUNXGFWQWRDFAFD-UHFFFAOYSA-O
XLogP1.92
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-methylanilino)-2-oxoethyl]-[2-(3-methylbutylamino)-2-oxoethyl]-propylazanium
CID 8810025
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-[2-(2-methylanilino)-2-oxoethyl]-propylazanium
CID 9039158
[2-(2-methylanilino)-2-oxoethyl]-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-propylazanium
CID 9038856
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-[2-(2-methylanilino)-2-oxoethyl]-propylazanium
CID 8810031
[2-(cyclohexylamino)-2-oxoethyl]-[2-(2-methoxyanilino)-2-oxoethyl]-propylazanium
CID 9169067
cyclohexyl-methyl-[2-(2-methylanilino)-2-oxoethyl]azanium
CID 8902222
[2-(2-methylanilino)-2-oxoethyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]-propylazanium
CID 8810175
[2-(2-methylanilino)-2-oxoethyl]-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-propylazanium
CID 8810159
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-[2-(2-methylanilino)-2-oxoethyl]-propylazanium
CID 9038373
2-(cyclopentyloxyamino)-N-(2-methylphenyl)acetamide
CID 83228788
(5-acetyl-2-methoxyphenyl)methyl-[2-(2-methylanilino)-2-oxoethyl]-propylazanium
CID 8810019
[2-(2-methylanilino)-2-oxoethyl]-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-propylazanium
CID 9348062

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylmethylamino)-2-oxoethyl]-[2-(2-methylanilino)-2-oxoethyl]-propylazanium?
The IUPAC name of [2-(cyclohexylmethylamino)-2-oxoethyl]-[2-(2-methylanilino)-2-oxoethyl]-propylazanium (CID 8809985) is [2-(cyclohexylmethylamino)-2-oxoethyl]-[2-(2-methylanilino)-2-oxoethyl]-propylazanium.
What is the SMILES notation for [2-(cyclohexylmethylamino)-2-oxoethyl]-[2-(2-methylanilino)-2-oxoethyl]-propylazanium?
The canonical SMILES for [2-(cyclohexylmethylamino)-2-oxoethyl]-[2-(2-methylanilino)-2-oxoethyl]-propylazanium is CCC[NH+](CC(=O)NCC1CCCCC1)CC(=O)Nc1ccccc1C.
What is the InChIKey of [2-(cyclohexylmethylamino)-2-oxoethyl]-[2-(2-methylanilino)-2-oxoethyl]-propylazanium?
The InChIKey is UNXGFWQWRDFAFD-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H33N3O2/c1-3-13-24(15-20(25)22-14-18-10-5-4-6-11-18)16-21(26)23-19-12-8-7-9-17(19)2/h7-9,12,18H,3-6,10-11,13-16H2,1-2H3,(H,22,25)(H,23,26)/p+1.
What are the key properties of [2-(cyclohexylmethylamino)-2-oxoethyl]-[2-(2-methylanilino)-2-oxoethyl]-propylazanium?
[2-(cyclohexylmethylamino)-2-oxoethyl]-[2-(2-methylanilino)-2-oxoethyl]-propylazanium has a molecular weight of 360.52 g/mol, XLogP of 1.92, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylmethylamino)-2-oxoethyl]-[2-(2-methylanilino)-2-oxoethyl]-propylazanium is sourced from PubChem (CID 8809985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).