2-(4-aminophenyl)-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]acetamide;dihydrochloride

C18H24Cl2N4O2 — CID 119873300

IUPAC2-(4-aminophenyl)-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]acetamide;dihydrochloride
SMILESCN(CCc1ccccn1)C(=O)CNC(=O)Cc1ccc(N)cc1.Cl.Cl
InChIInChI=1S/C18H22N4O2.2ClH/c1-22(11-9-16-4-2-3-10-20-16)18(24)13-21-17(23)12-14-5-7-15(19)8-6-14;;/h2-8,10H,9,11-13,19H2,1H3,(H,21,23);2*1H
InChIKeyOSPKBYFKSLVDMH-UHFFFAOYSA-N
MW399.32 g/mol
LogP1.87
Rot. Bonds7

About 2-(4-aminophenyl)-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]acetamide;dihydrochloride

2-(4-aminophenyl)-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]acetamide;dihydrochloride (PubChem CID 119873300) has the molecular formula C18H24Cl2N4O2 and a molecular weight of 399.32 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]acetamide;dihydrochloride
PubChem CID119873300
Molecular FormulaC18H24Cl2N4O2
Molecular Weight399.32 g/mol
Exact Mass398.13
IUPAC Name2-(4-aminophenyl)-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]acetamide;dihydrochloride
SMILESCN(CCc1ccccn1)C(=O)CNC(=O)Cc1ccc(N)cc1.Cl.Cl
InChIInChI=1S/C18H22N4O2.2ClH/c1-22(11-9-16-4-2-3-10-20-16)18(24)13-21-17(23)12-14-5-7-15(19)8-6-14;;/h2-8,10H,9,11-13,19H2,1H3,(H,21,23);2*1H
InChIKeyOSPKBYFKSLVDMH-UHFFFAOYSA-N
XLogP1.87
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.32
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]pentanamide
CID 120565270
3-amino-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]-3-phenylpropanamide
CID 119953602
1-amino-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]cyclopentane-1-carboxamide
CID 119873315
(2S)-2-amino-3,3-dimethyl-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]butanamide;dihydrochloride
CID 119873322
N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119873338
3-(2-aminophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 43309211
3-(3-aminophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 43309212
3-chloro-4-hydroxy-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]benzamide
CID 167836216
N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]piperidine-3-carboxamide;dihydrochloride
CID 119873294
2-[[N-[(4-fluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide
CID 111231892
2-[[N-[2-(3,5-dimethylphenyl)ethyl]-N'-methylcarbamimidoyl]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide
CID 111648825
(3Z)-3-amino-3-hydroxyimino-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 43156182

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]acetamide;dihydrochloride?
The IUPAC name of 2-(4-aminophenyl)-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]acetamide;dihydrochloride (CID 119873300) is 2-(4-aminophenyl)-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]acetamide;dihydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]acetamide;dihydrochloride is CN(CCc1ccccn1)C(=O)CNC(=O)Cc1ccc(N)cc1.Cl.Cl.
What is the InChIKey of 2-(4-aminophenyl)-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]acetamide;dihydrochloride?
The InChIKey is OSPKBYFKSLVDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2.2ClH/c1-22(11-9-16-4-2-3-10-20-16)18(24)13-21-17(23)12-14-5-7-15(19)8-6-14;;/h2-8,10H,9,11-13,19H2,1H3,(H,21,23);2*1H.
What are the key properties of 2-(4-aminophenyl)-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]acetamide;dihydrochloride?
2-(4-aminophenyl)-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]acetamide;dihydrochloride has a molecular weight of 399.32 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]acetamide;dihydrochloride is sourced from PubChem (CID 119873300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).