[2-(2-methylanilino)-2-oxoethyl]-[2-(3-methylbutylamino)-2-oxoethyl]-propylazanium

C19H32N3O2+ — CID 8810025

IUPAC[2-(2-methylanilino)-2-oxoethyl]-[2-(3-methylbutylamino)-2-oxoethyl]-propylazanium
SMILESCCC[NH+](CC(=O)NCCC(C)C)CC(=O)Nc1ccccc1C
InChIInChI=1S/C19H31N3O2/c1-5-12-22(13-18(23)20-11-10-15(2)3)14-19(24)21-17-9-7-6-8-16(17)4/h6-9,15H,5,10-14H2,1-4H3,(H,20,23)(H,21,24)/p+1
InChIKeyFZPLGHONBNUHRZ-UHFFFAOYSA-O
MW334.48 g/mol
LogP1.39
Rot. Bonds10

About [2-(2-methylanilino)-2-oxoethyl]-[2-(3-methylbutylamino)-2-oxoethyl]-propylazanium

[2-(2-methylanilino)-2-oxoethyl]-[2-(3-methylbutylamino)-2-oxoethyl]-propylazanium (PubChem CID 8810025) has the molecular formula C19H32N3O2+ and a molecular weight of 334.48 g/mol. Its IUPAC name is [2-(2-methylanilino)-2-oxoethyl]-[2-(3-methylbutylamino)-2-oxoethyl]-propylazanium.

Molecular Properties

Compound Name[2-(2-methylanilino)-2-oxoethyl]-[2-(3-methylbutylamino)-2-oxoethyl]-propylazanium
PubChem CID8810025
Molecular FormulaC19H32N3O2+
Molecular Weight334.48 g/mol
Exact Mass334.25
IUPAC Name[2-(2-methylanilino)-2-oxoethyl]-[2-(3-methylbutylamino)-2-oxoethyl]-propylazanium
SMILESCCC[NH+](CC(=O)NCCC(C)C)CC(=O)Nc1ccccc1C
InChIInChI=1S/C19H31N3O2/c1-5-12-22(13-18(23)20-11-10-15(2)3)14-19(24)21-17-9-7-6-8-16(17)4/h6-9,15H,5,10-14H2,1-4H3,(H,20,23)(H,21,24)/p+1
InChIKeyFZPLGHONBNUHRZ-UHFFFAOYSA-O
XLogP1.39
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.48
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-methylanilino)-2-oxoethyl]-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-propylazanium
CID 9038856
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-[2-(2-methylanilino)-2-oxoethyl]-propylazanium
CID 9039158
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-[2-(2-methylanilino)-2-oxoethyl]-propylazanium
CID 8810031
[2-(cyclohexylmethylamino)-2-oxoethyl]-[2-(2-methylanilino)-2-oxoethyl]-propylazanium
CID 8809985
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-(3-methylbutylamino)-2-oxoethyl]azanium
CID 8791716
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-[2-(2-methylanilino)-2-oxoethyl]-propylazanium
CID 9038373
[2-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-2-oxoethyl]-[2-(2-methylanilino)-2-oxoethyl]-propylazanium
CID 8810091
[2-(2-methylanilino)-2-oxoethyl]-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-propylazanium
CID 9348062
2-(7-methyloctylamino)-N-(2-methylphenyl)acetamide
CID 103604920
[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
(7,8-dimethyl-2-oxochromen-4-yl)methyl-[2-(2-methylanilino)-2-oxoethyl]-propylazanium
CID 9038230

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylanilino)-2-oxoethyl]-[2-(3-methylbutylamino)-2-oxoethyl]-propylazanium?
The IUPAC name of [2-(2-methylanilino)-2-oxoethyl]-[2-(3-methylbutylamino)-2-oxoethyl]-propylazanium (CID 8810025) is [2-(2-methylanilino)-2-oxoethyl]-[2-(3-methylbutylamino)-2-oxoethyl]-propylazanium.
What is the SMILES notation for [2-(2-methylanilino)-2-oxoethyl]-[2-(3-methylbutylamino)-2-oxoethyl]-propylazanium?
The canonical SMILES for [2-(2-methylanilino)-2-oxoethyl]-[2-(3-methylbutylamino)-2-oxoethyl]-propylazanium is CCC[NH+](CC(=O)NCCC(C)C)CC(=O)Nc1ccccc1C.
What is the InChIKey of [2-(2-methylanilino)-2-oxoethyl]-[2-(3-methylbutylamino)-2-oxoethyl]-propylazanium?
The InChIKey is FZPLGHONBNUHRZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H31N3O2/c1-5-12-22(13-18(23)20-11-10-15(2)3)14-19(24)21-17-9-7-6-8-16(17)4/h6-9,15H,5,10-14H2,1-4H3,(H,20,23)(H,21,24)/p+1.
What are the key properties of [2-(2-methylanilino)-2-oxoethyl]-[2-(3-methylbutylamino)-2-oxoethyl]-propylazanium?
[2-(2-methylanilino)-2-oxoethyl]-[2-(3-methylbutylamino)-2-oxoethyl]-propylazanium has a molecular weight of 334.48 g/mol, XLogP of 1.39, 10 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylanilino)-2-oxoethyl]-[2-(3-methylbutylamino)-2-oxoethyl]-propylazanium is sourced from PubChem (CID 8810025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).