2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]acetamide

C13H18N4O — CID 108994738

IUPAC2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]acetamide
SMILESCN(C)CCNC(=O)CNc1ccc(C#N)cc1
InChIInChI=1S/C13H18N4O/c1-17(2)8-7-15-13(18)10-16-12-5-3-11(9-14)4-6-12/h3-6,16H,7-8,10H2,1-2H3,(H,15,18)
InChIKeyRETITJSXSGJSQN-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.65
Rot. Bonds6

About 2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]acetamide

2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]acetamide (PubChem CID 108994738) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]acetamide
PubChem CID108994738
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]acetamide
SMILESCN(C)CCNC(=O)CNc1ccc(C#N)cc1
InChIInChI=1S/C13H18N4O/c1-17(2)8-7-15-13(18)10-16-12-5-3-11(9-14)4-6-12/h3-6,16H,7-8,10H2,1-2H3,(H,15,18)
InChIKeyRETITJSXSGJSQN-UHFFFAOYSA-N
XLogP0.65
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 109016336
2-(4-cyanoanilino)-N-(3-methylbutyl)acetamide
CID 47117865
N'-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]oxamide
CID 108519474
N-(4-cyanophenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide
CID 108960346
2-(4-cyanoanilino)-N-(3-phenylpropyl)acetamide
CID 31667205
1-N-(4-cyanophenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133807
tert-butyl 7-[[2-(4-cyanoanilino)acetyl]amino]heptanoate
CID 10760938
N-[2-(dimethylamino)ethyl]-2-(4-piperidin-1-ylanilino)acetamide
CID 108994702
N-carbamoyl-2-(4-cyanoanilino)acetamide
CID 26507718
2-[4-(dimethylamino)anilino]-N-[3-(dimethylamino)propyl]acetamide
CID 108995317
2-(4-cyanoanilino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]acetamide
CID 126836517
2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
CID 109252849

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]acetamide?
The IUPAC name of 2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]acetamide (CID 108994738) is 2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]acetamide.
What is the SMILES notation for 2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]acetamide?
The canonical SMILES for 2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]acetamide is CN(C)CCNC(=O)CNc1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]acetamide?
The InChIKey is RETITJSXSGJSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-17(2)8-7-15-13(18)10-16-12-5-3-11(9-14)4-6-12/h3-6,16H,7-8,10H2,1-2H3,(H,15,18).
What are the key properties of 2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]acetamide?
2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]acetamide has a molecular weight of 246.31 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]acetamide is sourced from PubChem (CID 108994738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).