3-(N-acetyl-2-cyanoanilino)-N-[2-(dimethylamino)ethyl]propanamide

C16H22N4O2 — CID 113134668

IUPAC3-(N-acetyl-2-cyanoanilino)-N-[2-(dimethylamino)ethyl]propanamide
SMILESCC(=O)N(CCC(=O)NCCN(C)C)c1ccccc1C#N
InChIInChI=1S/C16H22N4O2/c1-13(21)20(15-7-5-4-6-14(15)12-17)10-8-16(22)18-9-11-19(2)3/h4-7H,8-11H2,1-3H3,(H,18,22)
InChIKeyHJDPCGYIHXIOEC-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.98
Rot. Bonds7

About 3-(N-acetyl-2-cyanoanilino)-N-[2-(dimethylamino)ethyl]propanamide

3-(N-acetyl-2-cyanoanilino)-N-[2-(dimethylamino)ethyl]propanamide (PubChem CID 113134668) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 3-(N-acetyl-2-cyanoanilino)-N-[2-(dimethylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-cyanoanilino)-N-[2-(dimethylamino)ethyl]propanamide
PubChem CID113134668
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name3-(N-acetyl-2-cyanoanilino)-N-[2-(dimethylamino)ethyl]propanamide
SMILESCC(=O)N(CCC(=O)NCCN(C)C)c1ccccc1C#N
InChIInChI=1S/C16H22N4O2/c1-13(21)20(15-7-5-4-6-14(15)12-17)10-8-16(22)18-9-11-19(2)3/h4-7H,8-11H2,1-3H3,(H,18,22)
InChIKeyHJDPCGYIHXIOEC-UHFFFAOYSA-N
XLogP0.98
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(N-acetyl-2-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113123546
3-(N-acetyl-2-cyanoanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 113134695
3-(N-acetyl-2-cyanoanilino)-N-[(4-chlorophenyl)methyl]propanamide
CID 113134685
3-(N-acetyl-2-methoxyanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113128712
N-[2-(N-acetyl-2-cyanoanilino)ethyl]-2-(4-chlorophenyl)acetamide
CID 113064122
3-(N-acetyl-2-cyanoanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 113134686
N'-(2-cyanophenyl)-N-[2-(dimethylamino)ethyl]propanediamide
CID 108943957
N-(2-cyanophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 113134658
3-(N-acetyl-4-phenoxyanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113132275
N-[2-(N-acetyl-2-cyanoanilino)ethyl]-3,4,5-trimethoxybenzamide
CID 113064117
2-(N-acetyl-2-cyanoanilino)-N-phenylacetamide
CID 113180714
3-(N-acetyl-3-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113123741

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-cyanoanilino)-N-[2-(dimethylamino)ethyl]propanamide?
The IUPAC name of 3-(N-acetyl-2-cyanoanilino)-N-[2-(dimethylamino)ethyl]propanamide (CID 113134668) is 3-(N-acetyl-2-cyanoanilino)-N-[2-(dimethylamino)ethyl]propanamide.
What is the SMILES notation for 3-(N-acetyl-2-cyanoanilino)-N-[2-(dimethylamino)ethyl]propanamide?
The canonical SMILES for 3-(N-acetyl-2-cyanoanilino)-N-[2-(dimethylamino)ethyl]propanamide is CC(=O)N(CCC(=O)NCCN(C)C)c1ccccc1C#N.
What is the InChIKey of 3-(N-acetyl-2-cyanoanilino)-N-[2-(dimethylamino)ethyl]propanamide?
The InChIKey is HJDPCGYIHXIOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-13(21)20(15-7-5-4-6-14(15)12-17)10-8-16(22)18-9-11-19(2)3/h4-7H,8-11H2,1-3H3,(H,18,22).
What are the key properties of 3-(N-acetyl-2-cyanoanilino)-N-[2-(dimethylamino)ethyl]propanamide?
3-(N-acetyl-2-cyanoanilino)-N-[2-(dimethylamino)ethyl]propanamide has a molecular weight of 302.38 g/mol, XLogP of 0.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-cyanoanilino)-N-[2-(dimethylamino)ethyl]propanamide is sourced from PubChem (CID 113134668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).