N-(4-acetamidophenyl)-N'-[4-(diethylamino)phenyl]propanediamide

C21H26N4O3 — CID 108956266

IUPACN-(4-acetamidophenyl)-N'-[4-(diethylamino)phenyl]propanediamide
SMILESCCN(CC)c1ccc(NC(=O)CC(=O)Nc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C21H26N4O3/c1-4-25(5-2)19-12-10-18(11-13-19)24-21(28)14-20(27)23-17-8-6-16(7-9-17)22-15(3)26/h6-13H,4-5,14H2,1-3H3,(H,22,26)(H,23,27)(H,24,28)
InChIKeyYBCODIFJUHMXPZ-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.46
Rot. Bonds8

About N-(4-acetamidophenyl)-N'-[4-(diethylamino)phenyl]propanediamide

N-(4-acetamidophenyl)-N'-[4-(diethylamino)phenyl]propanediamide (PubChem CID 108956266) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-N'-[4-(diethylamino)phenyl]propanediamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-N'-[4-(diethylamino)phenyl]propanediamide
PubChem CID108956266
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-(4-acetamidophenyl)-N'-[4-(diethylamino)phenyl]propanediamide
SMILESCCN(CC)c1ccc(NC(=O)CC(=O)Nc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C21H26N4O3/c1-4-25(5-2)19-12-10-18(11-13-19)24-21(28)14-20(27)23-17-8-6-16(7-9-17)22-15(3)26/h6-13H,4-5,14H2,1-3H3,(H,22,26)(H,23,27)(H,24,28)
InChIKeyYBCODIFJUHMXPZ-UHFFFAOYSA-N
XLogP3.46
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-(4-acetamidophenyl)-N'-[4-(diethylamino)phenyl]propanediamide 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-[4-(diethylamino)anilino]-3-oxopropanoic acid
CID 62230045
N-(4-tert-butylphenyl)-N'-[4-(diethylamino)phenyl]propanediamide
CID 108954726
N-[4-(diethylamino)phenyl]-2-isocyanoacetamide
CID 108814829
2-[4-(diethylamino)anilino]-N-[4-(diethylamino)phenyl]acetamide
CID 109010373
N-[4-(diethylamino)phenyl]-2-(propylamino)acetamide
CID 60648364
N-[4-(diethylamino)phenyl]-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108954456
4-[4-(diethylamino)anilino]-4-oxobutanoic acid
CID 722023
N-[4-(diethylamino)phenyl]-2-(ethylamino)acetamide
CID 60641172
N'-[4-(diethylamino)phenyl]-N-[(4-methylphenyl)methyl]propanediamide
CID 108945823
N-[4-(diethylamino)phenyl]undecanamide
CID 4594726
2-[4-[acetyl(methyl)amino]phenyl]-N-[4-(diethylamino)phenyl]acetamide
CID 110674963
N-[4-(diethylamino)phenyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107029422

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-N'-[4-(diethylamino)phenyl]propanediamide?
The IUPAC name of N-(4-acetamidophenyl)-N'-[4-(diethylamino)phenyl]propanediamide (CID 108956266) is N-(4-acetamidophenyl)-N'-[4-(diethylamino)phenyl]propanediamide.
What is the SMILES notation for N-(4-acetamidophenyl)-N'-[4-(diethylamino)phenyl]propanediamide?
The canonical SMILES for N-(4-acetamidophenyl)-N'-[4-(diethylamino)phenyl]propanediamide is CCN(CC)c1ccc(NC(=O)CC(=O)Nc2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-N'-[4-(diethylamino)phenyl]propanediamide?
The InChIKey is YBCODIFJUHMXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-4-25(5-2)19-12-10-18(11-13-19)24-21(28)14-20(27)23-17-8-6-16(7-9-17)22-15(3)26/h6-13H,4-5,14H2,1-3H3,(H,22,26)(H,23,27)(H,24,28).
What are the key properties of N-(4-acetamidophenyl)-N'-[4-(diethylamino)phenyl]propanediamide?
N-(4-acetamidophenyl)-N'-[4-(diethylamino)phenyl]propanediamide has a molecular weight of 382.46 g/mol, XLogP of 3.46, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-N'-[4-(diethylamino)phenyl]propanediamide is sourced from PubChem (CID 108956266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).