4-cyano-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide

C14H17N3O2 — CID 9475425

IUPAC4-cyano-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
SMILESCC(C)NC(=O)CN(C)C(=O)c1ccc(C#N)cc1
InChIInChI=1S/C14H17N3O2/c1-10(2)16-13(18)9-17(3)14(19)12-6-4-11(8-15)5-7-12/h4-7,10H,9H2,1-3H3,(H,16,18)
InChIKeyMNFDBKSTUBSYEL-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.15
Rot. Bonds4

About 4-cyano-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide

4-cyano-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide (PubChem CID 9475425) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-cyano-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
PubChem CID9475425
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4-cyano-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
SMILESCC(C)NC(=O)CN(C)C(=O)c1ccc(C#N)cc1
InChIInChI=1S/C14H17N3O2/c1-10(2)16-13(18)9-17(3)14(19)12-6-4-11(8-15)5-7-12/h4-7,10H,9H2,1-3H3,(H,16,18)
InChIKeyMNFDBKSTUBSYEL-UHFFFAOYSA-N
XLogP1.15
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-cyano-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-propan-2-ylbenzamide
CID 9475393
4-iodo-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 31749087
N-methyl-4-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9475365
2-[(4-cyanophenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 8912475
4-cyano-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 7478620
4-cyano-N-(2-cyanopropyl)-N-methylbenzamide
CID 47205390
N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-pyrazol-1-ylbenzamide
CID 9476165
4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9476078
N-(2-aminoethyl)-4-cyano-N-methylbenzamide
CID 62681129
3,4,5-trifluoro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 63188876
N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 60937969
2-(4-cyano-2-fluoro-N-methylanilino)-N-propan-2-ylacetamide
CID 55005001

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The IUPAC name of 4-cyano-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide (CID 9475425) is 4-cyano-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide.
What is the SMILES notation for 4-cyano-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The canonical SMILES for 4-cyano-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide is CC(C)NC(=O)CN(C)C(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The InChIKey is MNFDBKSTUBSYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10(2)16-13(18)9-17(3)14(19)12-6-4-11(8-15)5-7-12/h4-7,10H,9H2,1-3H3,(H,16,18).
What are the key properties of 4-cyano-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
4-cyano-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide has a molecular weight of 259.31 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 9475425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).