2-(3-cyano-N-methylanilino)-N,N-diethylpropanamide

C15H21N3O — CID 62982606

IUPAC2-(3-cyano-N-methylanilino)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)N(C)c1cccc(C#N)c1
InChIInChI=1S/C15H21N3O/c1-5-18(6-2)15(19)12(3)17(4)14-9-7-8-13(10-14)11-16/h7-10,12H,5-6H2,1-4H3
InChIKeyVBOZNHIJNOAEMB-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.25
Rot. Bonds5

About 2-(3-cyano-N-methylanilino)-N,N-diethylpropanamide

2-(3-cyano-N-methylanilino)-N,N-diethylpropanamide (PubChem CID 62982606) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(3-cyano-N-methylanilino)-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-(3-cyano-N-methylanilino)-N,N-diethylpropanamide
PubChem CID62982606
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-(3-cyano-N-methylanilino)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)N(C)c1cccc(C#N)c1
InChIInChI=1S/C15H21N3O/c1-5-18(6-2)15(19)12(3)17(4)14-9-7-8-13(10-14)11-16/h7-10,12H,5-6H2,1-4H3
InChIKeyVBOZNHIJNOAEMB-UHFFFAOYSA-N
XLogP2.25
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(3-cyanophenyl)-N-methylpropanamide
CID 62981812
2-(3-cyano-N-methylanilino)-N-(methylcarbamoyl)propanamide
CID 55141191
N-(3-cyanophenyl)-N,2-dimethylpentanamide
CID 55151892
2-(3-cyano-N-methylanilino)-N-(3-methoxypropyl)propanamide
CID 62982263
N-(3-cyanophenyl)-N,4-dimethylpentanamide
CID 60588260
2-[carboxymethyl-[(3-cyanophenyl)-methylcarbamoyl]amino]acetic acid
CID 63645997
3-[3-cyano-N-(2-ethylbutanoyl)anilino]-2-methylpropanoic acid
CID 82321171
3-(4-propan-2-yl-N-(4-propan-2-ylphenyl)anilino)benzonitrile
CID 139836220
3-[methyl(methylsulfanyl)amino]benzonitrile
CID 146320456
3-[[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]-methylamino]benzonitrile
CID 103938718
N-(3-cyanophenyl)-N-methylazepane-1-carboxamide
CID 79152194
2-amino-N-(3-cyanophenyl)-2-ethyl-N-methylbutanamide
CID 79813224

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-N-methylanilino)-N,N-diethylpropanamide?
The IUPAC name of 2-(3-cyano-N-methylanilino)-N,N-diethylpropanamide (CID 62982606) is 2-(3-cyano-N-methylanilino)-N,N-diethylpropanamide.
What is the SMILES notation for 2-(3-cyano-N-methylanilino)-N,N-diethylpropanamide?
The canonical SMILES for 2-(3-cyano-N-methylanilino)-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)N(C)c1cccc(C#N)c1.
What is the InChIKey of 2-(3-cyano-N-methylanilino)-N,N-diethylpropanamide?
The InChIKey is VBOZNHIJNOAEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-5-18(6-2)15(19)12(3)17(4)14-9-7-8-13(10-14)11-16/h7-10,12H,5-6H2,1-4H3.
What are the key properties of 2-(3-cyano-N-methylanilino)-N,N-diethylpropanamide?
2-(3-cyano-N-methylanilino)-N,N-diethylpropanamide has a molecular weight of 259.35 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-N-methylanilino)-N,N-diethylpropanamide is sourced from PubChem (CID 62982606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).