N-(2-cyanoethyl)-2-[3-(N-methylanilino)propylamino]acetamide

C15H22N4O — CID 28573424

IUPACN-(2-cyanoethyl)-2-[3-(N-methylanilino)propylamino]acetamide
SMILESCN(CCCNCC(=O)NCCC#N)c1ccccc1
InChIInChI=1S/C15H22N4O/c1-19(14-7-3-2-4-8-14)12-6-10-17-13-15(20)18-11-5-9-16/h2-4,7-8,17H,5-6,10-13H2,1H3,(H,18,20)
InChIKeyJMFUHLXUKBRSCP-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.13
Rot. Bonds9

About N-(2-cyanoethyl)-2-[3-(N-methylanilino)propylamino]acetamide

N-(2-cyanoethyl)-2-[3-(N-methylanilino)propylamino]acetamide (PubChem CID 28573424) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[3-(N-methylanilino)propylamino]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[3-(N-methylanilino)propylamino]acetamide
PubChem CID28573424
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-(2-cyanoethyl)-2-[3-(N-methylanilino)propylamino]acetamide
SMILESCN(CCCNCC(=O)NCCC#N)c1ccccc1
InChIInChI=1S/C15H22N4O/c1-19(14-7-3-2-4-8-14)12-6-10-17-13-15(20)18-11-5-9-16/h2-4,7-8,17H,5-6,10-13H2,1H3,(H,18,20)
InChIKeyJMFUHLXUKBRSCP-UHFFFAOYSA-N
XLogP1.13
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-cyanoethyl)-2-[3-(N-methylanilino)propylamino]acetamide 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-butyl-2-[3-(N-methylanilino)propylamino]acetamide
CID 60693948
N-(2-methoxyethyl)-2-[3-(N-methylanilino)propylamino]acetamide
CID 60693730
2-[[2-(benzylamino)-2-oxoethyl]amino]-N-(2-cyanoethyl)acetamide
CID 60972076
N-[3-(N-methylanilino)propyl]pentanamide
CID 78799629
N-cyclopropyl-N-methyl-2-[3-(N-methylanilino)propylamino]acetamide
CID 61488484
2-tert-butylsulfanyl-N-[3-(N-methylanilino)propyl]acetamide
CID 78814923
ethyl 2-[[3-(N-methylanilino)propylamino]methyl]prop-2-enoate
CID 103232573
5-[3-(N-methylanilino)propylamino]pentanoic acid
CID 103232553
2-iodo-N-[2-[3-(N-methylanilino)propylamino]-2-oxoethyl]benzamide
CID 25472463
N-[2-[3-(N-methylanilino)propylamino]-2-oxoethyl]adamantane-1-carboxamide
CID 18110928
N-(2-cyanoethyl)-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide
CID 62640317
3-amino-N-[3-(N-methylanilino)propyl]butanamide
CID 60835666

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[3-(N-methylanilino)propylamino]acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[3-(N-methylanilino)propylamino]acetamide (CID 28573424) is N-(2-cyanoethyl)-2-[3-(N-methylanilino)propylamino]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[3-(N-methylanilino)propylamino]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[3-(N-methylanilino)propylamino]acetamide is CN(CCCNCC(=O)NCCC#N)c1ccccc1.
What is the InChIKey of N-(2-cyanoethyl)-2-[3-(N-methylanilino)propylamino]acetamide?
The InChIKey is JMFUHLXUKBRSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-19(14-7-3-2-4-8-14)12-6-10-17-13-15(20)18-11-5-9-16/h2-4,7-8,17H,5-6,10-13H2,1H3,(H,18,20).
What are the key properties of N-(2-cyanoethyl)-2-[3-(N-methylanilino)propylamino]acetamide?
N-(2-cyanoethyl)-2-[3-(N-methylanilino)propylamino]acetamide has a molecular weight of 274.37 g/mol, XLogP of 1.13, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[3-(N-methylanilino)propylamino]acetamide is sourced from PubChem (CID 28573424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).