2-[N-acetyl-4-(dimethylamino)anilino]-N-(3-cyanophenyl)acetamide

C19H20N4O2 — CID 113176810

IUPAC2-[N-acetyl-4-(dimethylamino)anilino]-N-(3-cyanophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1cccc(C#N)c1)c1ccc(N(C)C)cc1
InChIInChI=1S/C19H20N4O2/c1-14(24)23(18-9-7-17(8-10-18)22(2)3)13-19(25)21-16-6-4-5-15(11-16)12-20/h4-11H,13H2,1-3H3,(H,21,25)
InChIKeyWFJGTKWQCMANMZ-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.62
Rot. Bonds5

About 2-[N-acetyl-4-(dimethylamino)anilino]-N-(3-cyanophenyl)acetamide

2-[N-acetyl-4-(dimethylamino)anilino]-N-(3-cyanophenyl)acetamide (PubChem CID 113176810) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-[N-acetyl-4-(dimethylamino)anilino]-N-(3-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[N-acetyl-4-(dimethylamino)anilino]-N-(3-cyanophenyl)acetamide
PubChem CID113176810
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name2-[N-acetyl-4-(dimethylamino)anilino]-N-(3-cyanophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1cccc(C#N)c1)c1ccc(N(C)C)cc1
InChIInChI=1S/C19H20N4O2/c1-14(24)23(18-9-7-17(8-10-18)22(2)3)13-19(25)21-16-6-4-5-15(11-16)12-20/h4-11H,13H2,1-3H3,(H,21,25)
InChIKeyWFJGTKWQCMANMZ-UHFFFAOYSA-N
XLogP2.62
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(N-acetyl-3-chloro-4-methylanilino)-N-(3-cyanophenyl)acetamide
CID 113172320
2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(3-cyanophenyl)acetamide
CID 113177261
2-[acetyl(propan-2-yl)amino]-N-(3-cyanophenyl)acetamide
CID 113158289
2-(N-acetyl-2,4-dimethylanilino)-N-(3-cyanophenyl)acetamide
CID 113168034
2-(N-acetyl-3-cyanoanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113180919
1-(3-cyanophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 54344959
2-[acetyl(propyl)amino]-N-(3-cyanophenyl)acetamide
CID 113158090
2-(N-acetyl-3-cyanoanilino)-N-(4-tert-butylphenyl)acetamide
CID 113180933
2-(N-acetyl-4-cyanoanilino)-N-(3,5-dimethylphenyl)acetamide
CID 113181116
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(3-cyanophenyl)acetamide
CID 113175093
N-(4-acetamidophenyl)-2-[N-acetyl-4-(dimethylamino)anilino]acetamide
CID 113176781
3-(N-acetyl-3,4-dichloroanilino)-N-(3-cyanophenyl)propanamide
CID 113133827

Frequently Asked Questions

What is the IUPAC name of 2-[N-acetyl-4-(dimethylamino)anilino]-N-(3-cyanophenyl)acetamide?
The IUPAC name of 2-[N-acetyl-4-(dimethylamino)anilino]-N-(3-cyanophenyl)acetamide (CID 113176810) is 2-[N-acetyl-4-(dimethylamino)anilino]-N-(3-cyanophenyl)acetamide.
What is the SMILES notation for 2-[N-acetyl-4-(dimethylamino)anilino]-N-(3-cyanophenyl)acetamide?
The canonical SMILES for 2-[N-acetyl-4-(dimethylamino)anilino]-N-(3-cyanophenyl)acetamide is CC(=O)N(CC(=O)Nc1cccc(C#N)c1)c1ccc(N(C)C)cc1.
What is the InChIKey of 2-[N-acetyl-4-(dimethylamino)anilino]-N-(3-cyanophenyl)acetamide?
The InChIKey is WFJGTKWQCMANMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-14(24)23(18-9-7-17(8-10-18)22(2)3)13-19(25)21-16-6-4-5-15(11-16)12-20/h4-11H,13H2,1-3H3,(H,21,25).
What are the key properties of 2-[N-acetyl-4-(dimethylamino)anilino]-N-(3-cyanophenyl)acetamide?
2-[N-acetyl-4-(dimethylamino)anilino]-N-(3-cyanophenyl)acetamide has a molecular weight of 336.40 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-acetyl-4-(dimethylamino)anilino]-N-(3-cyanophenyl)acetamide is sourced from PubChem (CID 113176810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).