N-(3-aminophenyl)-2-[2-cyanopropyl(ethyl)amino]acetamide

C14H20N4O — CID 54988178

IUPACN-(3-aminophenyl)-2-[2-cyanopropyl(ethyl)amino]acetamide
SMILESCCN(CC(=O)Nc1cccc(N)c1)CC(C)C#N
InChIInChI=1S/C14H20N4O/c1-3-18(9-11(2)8-15)10-14(19)17-13-6-4-5-12(16)7-13/h4-7,11H,3,9-10,16H2,1-2H3,(H,17,19)
InChIKeyDDZOBVWWXWQCSB-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.69
Rot. Bonds6

About N-(3-aminophenyl)-2-[2-cyanopropyl(ethyl)amino]acetamide

N-(3-aminophenyl)-2-[2-cyanopropyl(ethyl)amino]acetamide (PubChem CID 54988178) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-[2-cyanopropyl(ethyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-[2-cyanopropyl(ethyl)amino]acetamide
PubChem CID54988178
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-(3-aminophenyl)-2-[2-cyanopropyl(ethyl)amino]acetamide
SMILESCCN(CC(=O)Nc1cccc(N)c1)CC(C)C#N
InChIInChI=1S/C14H20N4O/c1-3-18(9-11(2)8-15)10-14(19)17-13-6-4-5-12(16)7-13/h4-7,11H,3,9-10,16H2,1-2H3,(H,17,19)
InChIKeyDDZOBVWWXWQCSB-UHFFFAOYSA-N
XLogP1.69
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-aminophenyl)-2-[2-cyanopropyl(ethyl)amino]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

3-(3-aminophenyl)-1-(2-cyanopropyl)-1-methylurea
CID 54990972
N-(3-aminophenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 79384491
2-[2-cyanopropyl(ethyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 47069094
N-(3-aminophenyl)-2-(dibutylamino)acetamide
CID 28982406
N-(3-aminophenyl)-3-[bis(2-methylpropyl)amino]propanamide
CID 43587667
2-[2-cyanopropyl(ethyl)amino]-N-(2-methoxyphenyl)acetamide
CID 60674387
N-(3-aminophenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]acetamide
CID 55006642
N-(3-aminophenyl)-2-(N-ethylanilino)acetamide
CID 16790236
N-[3-(aminomethyl)phenyl]-2-[ethyl(2-methylbutyl)amino]acetamide
CID 79477802
N-(3,4-diaminophenyl)-2-(diethylamino)acetamide
CID 66593690
N-(3-amino-4-methylphenyl)-2-[ethyl(2-methylpropyl)amino]acetamide
CID 43376006
3-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 62851901

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-[2-cyanopropyl(ethyl)amino]acetamide?
The IUPAC name of N-(3-aminophenyl)-2-[2-cyanopropyl(ethyl)amino]acetamide (CID 54988178) is N-(3-aminophenyl)-2-[2-cyanopropyl(ethyl)amino]acetamide.
What is the SMILES notation for N-(3-aminophenyl)-2-[2-cyanopropyl(ethyl)amino]acetamide?
The canonical SMILES for N-(3-aminophenyl)-2-[2-cyanopropyl(ethyl)amino]acetamide is CCN(CC(=O)Nc1cccc(N)c1)CC(C)C#N.
What is the InChIKey of N-(3-aminophenyl)-2-[2-cyanopropyl(ethyl)amino]acetamide?
The InChIKey is DDZOBVWWXWQCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-3-18(9-11(2)8-15)10-14(19)17-13-6-4-5-12(16)7-13/h4-7,11H,3,9-10,16H2,1-2H3,(H,17,19).
What are the key properties of N-(3-aminophenyl)-2-[2-cyanopropyl(ethyl)amino]acetamide?
N-(3-aminophenyl)-2-[2-cyanopropyl(ethyl)amino]acetamide has a molecular weight of 260.34 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-[2-cyanopropyl(ethyl)amino]acetamide is sourced from PubChem (CID 54988178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).