(2-cyanophenyl)methyl-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium

C19H22N3O+ — CID 8789289

IUPAC(2-cyanophenyl)methyl-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium
SMILESCCc1ccccc1NC(=O)C[NH+](C)Cc1ccccc1C#N
InChIInChI=1S/C19H21N3O/c1-3-15-8-6-7-11-18(15)21-19(23)14-22(2)13-17-10-5-4-9-16(17)12-20/h4-11H,3,13-14H2,1-2H3,(H,21,23)/p+1
InChIKeyDSSYQENGNYHICM-UHFFFAOYSA-O
MW308.41 g/mol
LogP1.77
Rot. Bonds6

About (2-cyanophenyl)methyl-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium

(2-cyanophenyl)methyl-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium (PubChem CID 8789289) has the molecular formula C19H22N3O+ and a molecular weight of 308.41 g/mol. Its IUPAC name is (2-cyanophenyl)methyl-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name(2-cyanophenyl)methyl-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium
PubChem CID8789289
Molecular FormulaC19H22N3O+
Molecular Weight308.41 g/mol
Exact Mass308.18
IUPAC Name(2-cyanophenyl)methyl-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium
SMILESCCc1ccccc1NC(=O)C[NH+](C)Cc1ccccc1C#N
InChIInChI=1S/C19H21N3O/c1-3-15-8-6-7-11-18(15)21-19(23)14-22(2)13-17-10-5-4-9-16(17)12-20/h4-11H,3,13-14H2,1-2H3,(H,21,23)/p+1
InChIKeyDSSYQENGNYHICM-UHFFFAOYSA-O
XLogP1.77
TPSA57.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2-cyanophenyl)methyl-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 8622124
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(2-cyanophenyl)methyl]-methylazanium
CID 8793980
(2-cyanophenyl)methyl-[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylazanium
CID 8818931
[2-(2-cyanoanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium
CID 2496920
[2-(2-cyanoanilino)-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium
CID 9028520
[2-(2-cyanoanilino)-2-oxoethyl]-[(3,4-dichlorophenyl)methyl]-methylazanium
CID 2658737
(5-bromothiophen-2-yl)methyl-[2-(2-cyanoanilino)-2-oxoethyl]-methylazanium
CID 9299186
[2-(2-cyanoanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 2462072
[2-(2-ethylanilino)-2-oxoethyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9304134
N-(2-cyanophenyl)-N'-(2,6-diethylphenyl)propanediamide
CID 108954547
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
[2-(2-acetylanilino)-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium
CID 9465682

Frequently Asked Questions

What is the IUPAC name of (2-cyanophenyl)methyl-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of (2-cyanophenyl)methyl-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium (CID 8789289) is (2-cyanophenyl)methyl-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for (2-cyanophenyl)methyl-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for (2-cyanophenyl)methyl-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium is CCc1ccccc1NC(=O)C[NH+](C)Cc1ccccc1C#N.
What is the InChIKey of (2-cyanophenyl)methyl-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium?
The InChIKey is DSSYQENGNYHICM-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H21N3O/c1-3-15-8-6-7-11-18(15)21-19(23)14-22(2)13-17-10-5-4-9-16(17)12-20/h4-11H,3,13-14H2,1-2H3,(H,21,23)/p+1.
What are the key properties of (2-cyanophenyl)methyl-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium?
(2-cyanophenyl)methyl-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium has a molecular weight of 308.41 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyanophenyl)methyl-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8789289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).