2-(3-aminophenyl)-N-[4-(diethylamino)phenyl]acetamide

C18H23N3O — CID 28712277

IUPAC2-(3-aminophenyl)-N-[4-(diethylamino)phenyl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)Cc2cccc(N)c2)cc1
InChIInChI=1S/C18H23N3O/c1-3-21(4-2)17-10-8-16(9-11-17)20-18(22)13-14-6-5-7-15(19)12-14/h5-12H,3-4,13,19H2,1-2H3,(H,20,22)
InChIKeyNIKHRBSFCCQJMV-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.30
Rot. Bonds6

About 2-(3-aminophenyl)-N-[4-(diethylamino)phenyl]acetamide

2-(3-aminophenyl)-N-[4-(diethylamino)phenyl]acetamide (PubChem CID 28712277) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-[4-(diethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-[4-(diethylamino)phenyl]acetamide
PubChem CID28712277
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name2-(3-aminophenyl)-N-[4-(diethylamino)phenyl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)Cc2cccc(N)c2)cc1
InChIInChI=1S/C18H23N3O/c1-3-21(4-2)17-10-8-16(9-11-17)20-18(22)13-14-6-5-7-15(19)12-14/h5-12H,3-4,13,19H2,1-2H3,(H,20,22)
InChIKeyNIKHRBSFCCQJMV-UHFFFAOYSA-N
XLogP3.30
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(3-aminophenyl)-N-[4-(diethylamino)phenyl]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

4-[[2-(3-aminophenyl)acetyl]amino]-N-methylbenzamide
CID 62499837
2-(3-aminophenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 28712241
2-(3-amino-N-ethylanilino)-N-(4-methylphenyl)acetamide
CID 63229853
N-[2-[4-(diethylamino)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 113000132
N-[4-[benzyl(ethyl)amino]phenyl]-2-(3-fluorophenyl)acetamide
CID 112982863
N-(3-aminophenyl)-2-(N-ethylanilino)acetamide
CID 16790236
N-[4-(diethylamino)phenyl]-2-(4-fluorophenyl)acetamide
CID 849192
2-(3-aminophenyl)-N-(3,5-dichlorophenyl)acetamide
CID 28712382
2-(3-aminophenyl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 28712283
2-[4-[acetyl(methyl)amino]phenyl]-N-[4-(diethylamino)phenyl]acetamide
CID 110674963
2-(3-aminophenyl)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 28712195
2-(3-aminophenyl)-N-(6-methoxy-3-pyridinyl)acetamide
CID 62499152

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-[4-(diethylamino)phenyl]acetamide?
The IUPAC name of 2-(3-aminophenyl)-N-[4-(diethylamino)phenyl]acetamide (CID 28712277) is 2-(3-aminophenyl)-N-[4-(diethylamino)phenyl]acetamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-[4-(diethylamino)phenyl]acetamide?
The canonical SMILES for 2-(3-aminophenyl)-N-[4-(diethylamino)phenyl]acetamide is CCN(CC)c1ccc(NC(=O)Cc2cccc(N)c2)cc1.
What is the InChIKey of 2-(3-aminophenyl)-N-[4-(diethylamino)phenyl]acetamide?
The InChIKey is NIKHRBSFCCQJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-3-21(4-2)17-10-8-16(9-11-17)20-18(22)13-14-6-5-7-15(19)12-14/h5-12H,3-4,13,19H2,1-2H3,(H,20,22).
What are the key properties of 2-(3-aminophenyl)-N-[4-(diethylamino)phenyl]acetamide?
2-(3-aminophenyl)-N-[4-(diethylamino)phenyl]acetamide has a molecular weight of 297.40 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-[4-(diethylamino)phenyl]acetamide is sourced from PubChem (CID 28712277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).