N'-(4-acetamidophenyl)-N-(4-acetylphenyl)propanediamide

C19H19N3O4 — CID 108956176

IUPACN'-(4-acetamidophenyl)-N-(4-acetylphenyl)propanediamide
SMILESCC(=O)Nc1ccc(NC(=O)CC(=O)Nc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C19H19N3O4/c1-12(23)14-3-5-16(6-4-14)21-18(25)11-19(26)22-17-9-7-15(8-10-17)20-13(2)24/h3-10H,11H2,1-2H3,(H,20,24)(H,21,25)(H,22,26)
InChIKeyHPEBMGCIVVVLPY-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.81
Rot. Bonds6

About N'-(4-acetamidophenyl)-N-(4-acetylphenyl)propanediamide

N'-(4-acetamidophenyl)-N-(4-acetylphenyl)propanediamide (PubChem CID 108956176) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N'-(4-acetamidophenyl)-N-(4-acetylphenyl)propanediamide.

Molecular Properties

Compound NameN'-(4-acetamidophenyl)-N-(4-acetylphenyl)propanediamide
PubChem CID108956176
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN'-(4-acetamidophenyl)-N-(4-acetylphenyl)propanediamide
SMILESCC(=O)Nc1ccc(NC(=O)CC(=O)Nc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C19H19N3O4/c1-12(23)14-3-5-16(6-4-14)21-18(25)11-19(26)22-17-9-7-15(8-10-17)20-13(2)24/h3-10H,11H2,1-2H3,(H,20,24)(H,21,25)(H,22,26)
InChIKeyHPEBMGCIVVVLPY-UHFFFAOYSA-N
XLogP2.81
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetylphenyl)acetamide;fluoromethane
CID 160517938
3-(4-acetamidoanilino)-3-oxopropanoic acid
CID 55049633
N-(4-acetylphenyl)-N'-(2-ethylphenyl)propanediamide
CID 108953959
N-(4-acetylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108956184
N-(4-acetylphenyl)-3,3,3-trifluoropropanamide
CID 24695395
N-(4-acetylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide
CID 108956222
N'-(4-acetylphenyl)-N-(pyridin-4-ylmethyl)propanediamide
CID 108947858
N-(4-acetylphenyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108956065
3-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(4-acetylphenyl)propanamide
CID 24588858
N-(4-acetamidophenyl)-N'-[4-(diethylamino)phenyl]propanediamide
CID 108956266
N-(4-acetylphenyl)-4-(methylamino)butanamide
CID 61258439
N-(4-acetylphenyl)-N'-(2-ethoxyphenyl)propanediamide
CID 108955673

Frequently Asked Questions

What is the IUPAC name of N'-(4-acetamidophenyl)-N-(4-acetylphenyl)propanediamide?
The IUPAC name of N'-(4-acetamidophenyl)-N-(4-acetylphenyl)propanediamide (CID 108956176) is N'-(4-acetamidophenyl)-N-(4-acetylphenyl)propanediamide.
What is the SMILES notation for N'-(4-acetamidophenyl)-N-(4-acetylphenyl)propanediamide?
The canonical SMILES for N'-(4-acetamidophenyl)-N-(4-acetylphenyl)propanediamide is CC(=O)Nc1ccc(NC(=O)CC(=O)Nc2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of N'-(4-acetamidophenyl)-N-(4-acetylphenyl)propanediamide?
The InChIKey is HPEBMGCIVVVLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-12(23)14-3-5-16(6-4-14)21-18(25)11-19(26)22-17-9-7-15(8-10-17)20-13(2)24/h3-10H,11H2,1-2H3,(H,20,24)(H,21,25)(H,22,26).
What are the key properties of N'-(4-acetamidophenyl)-N-(4-acetylphenyl)propanediamide?
N'-(4-acetamidophenyl)-N-(4-acetylphenyl)propanediamide has a molecular weight of 353.38 g/mol, XLogP of 2.81, 6 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-acetylphenyl)propanediamide is sourced from PubChem (CID 108956176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).