2-(2-acetyl-5-cyanoanilino)-N,N-dimethylacetamide

C13H15N3O2 — CID 133466049

IUPAC2-(2-acetyl-5-cyanoanilino)-N,N-dimethylacetamide
SMILESCC(=O)c1ccc(C#N)cc1NCC(=O)N(C)C
InChIInChI=1S/C13H15N3O2/c1-9(17)11-5-4-10(7-14)6-12(11)15-8-13(18)16(2)3/h4-6,15H,8H2,1-3H3
InChIKeyYPBKOEBAAHXEKI-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.26
Rot. Bonds4

About 2-(2-acetyl-5-cyanoanilino)-N,N-dimethylacetamide

2-(2-acetyl-5-cyanoanilino)-N,N-dimethylacetamide (PubChem CID 133466049) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(2-acetyl-5-cyanoanilino)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(2-acetyl-5-cyanoanilino)-N,N-dimethylacetamide
PubChem CID133466049
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-(2-acetyl-5-cyanoanilino)-N,N-dimethylacetamide
SMILESCC(=O)c1ccc(C#N)cc1NCC(=O)N(C)C
InChIInChI=1S/C13H15N3O2/c1-9(17)11-5-4-10(7-14)6-12(11)15-8-13(18)16(2)3/h4-6,15H,8H2,1-3H3
InChIKeyYPBKOEBAAHXEKI-UHFFFAOYSA-N
XLogP1.26
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyano-2-methylanilino)-N,N-dimethylacetamide
CID 60929299
2-(2-bromo-4-cyanoanilino)-N-methyl-N-propan-2-ylacetamide
CID 107789738
4-acetyl-3-[(1-hydroxycyclohexyl)methylamino]benzonitrile
CID 133457212
4-acetyl-3-(3-propan-2-yloxypropylamino)benzonitrile
CID 133465855
4-acetyl-3-[2-(4-methoxyphenoxy)ethylamino]benzonitrile
CID 133466179
4-acetyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]benzonitrile
CID 133496794
4-acetyl-3-[2-(2,6-difluorophenyl)ethylamino]benzonitrile
CID 133456455
4-acetyl-3-(2-piperidin-1-ylethylamino)benzonitrile
CID 133456182
4-acetyl-3-[(2-hydroxycyclohexyl)methylamino]benzonitrile
CID 133458474
4-acetyl-3-[(2-ethoxy-4-pyridinyl)methylamino]benzonitrile
CID 133456188
4-acetyl-3-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]benzonitrile
CID 133458309
4-acetyl-3-[2-(benzenesulfonyl)ethylamino]benzonitrile
CID 133456824

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-5-cyanoanilino)-N,N-dimethylacetamide?
The IUPAC name of 2-(2-acetyl-5-cyanoanilino)-N,N-dimethylacetamide (CID 133466049) is 2-(2-acetyl-5-cyanoanilino)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(2-acetyl-5-cyanoanilino)-N,N-dimethylacetamide?
The canonical SMILES for 2-(2-acetyl-5-cyanoanilino)-N,N-dimethylacetamide is CC(=O)c1ccc(C#N)cc1NCC(=O)N(C)C.
What is the InChIKey of 2-(2-acetyl-5-cyanoanilino)-N,N-dimethylacetamide?
The InChIKey is YPBKOEBAAHXEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9(17)11-5-4-10(7-14)6-12(11)15-8-13(18)16(2)3/h4-6,15H,8H2,1-3H3.
What are the key properties of 2-(2-acetyl-5-cyanoanilino)-N,N-dimethylacetamide?
2-(2-acetyl-5-cyanoanilino)-N,N-dimethylacetamide has a molecular weight of 245.28 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-5-cyanoanilino)-N,N-dimethylacetamide is sourced from PubChem (CID 133466049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).