[2-(2-cyanoanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium

C15H21N4O2+ — CID 2496920

IUPAC[2-(2-cyanoanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium
SMILESCCCNC(=O)C[NH+](C)CC(=O)Nc1ccccc1C#N
InChIInChI=1S/C15H20N4O2/c1-3-8-17-14(20)10-19(2)11-15(21)18-13-7-5-4-6-12(13)9-16/h4-7H,3,8,10-11H2,1-2H3,(H,17,20)(H,18,21)/p+1
InChIKeyABCYCNLZOLWLOD-UHFFFAOYSA-O
MW289.36 g/mol
LogP-0.46
Rot. Bonds7

About [2-(2-cyanoanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium

[2-(2-cyanoanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium (PubChem CID 2496920) has the molecular formula C15H21N4O2+ and a molecular weight of 289.36 g/mol. Its IUPAC name is [2-(2-cyanoanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium.

Molecular Properties

Compound Name[2-(2-cyanoanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium
PubChem CID2496920
Molecular FormulaC15H21N4O2+
Molecular Weight289.36 g/mol
Exact Mass289.17
IUPAC Name[2-(2-cyanoanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium
SMILESCCCNC(=O)C[NH+](C)CC(=O)Nc1ccccc1C#N
InChIInChI=1S/C15H20N4O2/c1-3-8-17-14(20)10-19(2)11-15(21)18-13-7-5-4-6-12(13)9-16/h4-7H,3,8,10-11H2,1-2H3,(H,17,20)(H,18,21)/p+1
InChIKeyABCYCNLZOLWLOD-UHFFFAOYSA-O
XLogP-0.46
TPSA86.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium
CID 9302664
[2-(2-cyanoanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 2462072
N'-(2-cyanophenyl)-N-propyloxamide
CID 7292742
N'-(2-cyanophenyl)-N-pentylpropanediamide
CID 108951989
[2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]azanium
CID 8843903
[2-(3-chloro-2-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium
CID 9302794
(2-cyanophenyl)methyl-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium
CID 8789289
[2-(2-cyanoanilino)-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium
CID 9028520
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium
CID 9302760
[2-(2-cyanoanilino)-2-oxoethyl]-[(3,4-dichlorophenyl)methyl]-methylazanium
CID 2658737
(2R)-N-(2-cyanophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide
CID 9302665
(5-bromothiophen-2-yl)methyl-[2-(2-cyanoanilino)-2-oxoethyl]-methylazanium
CID 9299186

Frequently Asked Questions

What is the IUPAC name of [2-(2-cyanoanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium?
The IUPAC name of [2-(2-cyanoanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium (CID 2496920) is [2-(2-cyanoanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium.
What is the SMILES notation for [2-(2-cyanoanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium?
The canonical SMILES for [2-(2-cyanoanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium is CCCNC(=O)C[NH+](C)CC(=O)Nc1ccccc1C#N.
What is the InChIKey of [2-(2-cyanoanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium?
The InChIKey is ABCYCNLZOLWLOD-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H20N4O2/c1-3-8-17-14(20)10-19(2)11-15(21)18-13-7-5-4-6-12(13)9-16/h4-7H,3,8,10-11H2,1-2H3,(H,17,20)(H,18,21)/p+1.
What are the key properties of [2-(2-cyanoanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium?
[2-(2-cyanoanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium has a molecular weight of 289.36 g/mol, XLogP of -0.46, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-cyanoanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium is sourced from PubChem (CID 2496920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).