N-(4-aminophenyl)-2-[N-(2-cyanoethyl)anilino]acetamide

C17H18N4O — CID 43824011

IUPACN-(4-aminophenyl)-2-[N-(2-cyanoethyl)anilino]acetamide
SMILESN#CCCN(CC(=O)Nc1ccc(N)cc1)c1ccccc1
InChIInChI=1S/C17H18N4O/c18-11-4-12-21(16-5-2-1-3-6-16)13-17(22)20-15-9-7-14(19)8-10-15/h1-3,5-10H,4,12-13,19H2,(H,20,22)
InChIKeyHFGIBGWQPNKAEK-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.63
Rot. Bonds6

About N-(4-aminophenyl)-2-[N-(2-cyanoethyl)anilino]acetamide

N-(4-aminophenyl)-2-[N-(2-cyanoethyl)anilino]acetamide (PubChem CID 43824011) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-[N-(2-cyanoethyl)anilino]acetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-[N-(2-cyanoethyl)anilino]acetamide
PubChem CID43824011
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC NameN-(4-aminophenyl)-2-[N-(2-cyanoethyl)anilino]acetamide
SMILESN#CCCN(CC(=O)Nc1ccc(N)cc1)c1ccccc1
InChIInChI=1S/C17H18N4O/c18-11-4-12-21(16-5-2-1-3-6-16)13-17(22)20-15-9-7-14(19)8-10-15/h1-3,5-10H,4,12-13,19H2,(H,20,22)
InChIKeyHFGIBGWQPNKAEK-UHFFFAOYSA-N
XLogP2.63
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(4-aminophenyl)-2-[N-(2-cyanoethyl)anilino]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

2-[N-(2-cyanoethyl)anilino]acetohydrazide
CID 63570453
N-carbamoyl-2-[N-(2-cyanoethyl)anilino]acetamide
CID 24692153
2-(4-amino-N-propylanilino)-N-phenylacetamide
CID 63233780
2-[N-(2-cyanoethyl)anilino]-N-(cyclopropylmethyl)acetamide
CID 24703101
N-(4-aminophenyl)-2-(N-ethyl-3-hydroxyanilino)acetamide
CID 107733928
3-(N-[2-(2-cyanoethylamino)-2-oxoethyl]anilino)propanoic acid
CID 60839580
5-[N-(2-cyanoethyl)anilino]pentanehydrazide
CID 63570456
N-(4-aminophenyl)-2-[1-cyanopropan-2-yl(methyl)amino]acetamide
CID 63222153
2-[2-cyanoethyl(cyclopropyl)amino]-N-phenylacetamide
CID 54982622
2-[[2-cyanoethyl(methyl)sulfamoyl]-methylamino]-N-phenylacetamide
CID 86979758
N-(4-aminophenyl)-2-[methyl(2-phenylethyl)amino]acetamide
CID 65482728
N-(3-aminophenyl)-2-(N-ethylanilino)acetamide
CID 16790236

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-[N-(2-cyanoethyl)anilino]acetamide?
The IUPAC name of N-(4-aminophenyl)-2-[N-(2-cyanoethyl)anilino]acetamide (CID 43824011) is N-(4-aminophenyl)-2-[N-(2-cyanoethyl)anilino]acetamide.
What is the SMILES notation for N-(4-aminophenyl)-2-[N-(2-cyanoethyl)anilino]acetamide?
The canonical SMILES for N-(4-aminophenyl)-2-[N-(2-cyanoethyl)anilino]acetamide is N#CCCN(CC(=O)Nc1ccc(N)cc1)c1ccccc1.
What is the InChIKey of N-(4-aminophenyl)-2-[N-(2-cyanoethyl)anilino]acetamide?
The InChIKey is HFGIBGWQPNKAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c18-11-4-12-21(16-5-2-1-3-6-16)13-17(22)20-15-9-7-14(19)8-10-15/h1-3,5-10H,4,12-13,19H2,(H,20,22).
What are the key properties of N-(4-aminophenyl)-2-[N-(2-cyanoethyl)anilino]acetamide?
N-(4-aminophenyl)-2-[N-(2-cyanoethyl)anilino]acetamide has a molecular weight of 294.36 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-[N-(2-cyanoethyl)anilino]acetamide is sourced from PubChem (CID 43824011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).