N-(4-acetylphenyl)-N'-(2-ethoxyphenyl)propanediamide

C19H20N2O4 — CID 108955673

IUPACN-(4-acetylphenyl)-N'-(2-ethoxyphenyl)propanediamide
SMILESCCOc1ccccc1NC(=O)CC(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C19H20N2O4/c1-3-25-17-7-5-4-6-16(17)21-19(24)12-18(23)20-15-10-8-14(9-11-15)13(2)22/h4-11H,3,12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyORARSJVJRCCFTL-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.26
Rot. Bonds7

About N-(4-acetylphenyl)-N'-(2-ethoxyphenyl)propanediamide

N-(4-acetylphenyl)-N'-(2-ethoxyphenyl)propanediamide (PubChem CID 108955673) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-(4-acetylphenyl)-N'-(2-ethoxyphenyl)propanediamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-N'-(2-ethoxyphenyl)propanediamide
PubChem CID108955673
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN-(4-acetylphenyl)-N'-(2-ethoxyphenyl)propanediamide
SMILESCCOc1ccccc1NC(=O)CC(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C19H20N2O4/c1-3-25-17-7-5-4-6-16(17)21-19(24)12-18(23)20-15-10-8-14(9-11-15)13(2)22/h4-11H,3,12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyORARSJVJRCCFTL-UHFFFAOYSA-N
XLogP3.26
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.26
H-Bond Donors ≤ 52
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)-N'-(2-ethylphenyl)propanediamide
CID 108953959
N'-(2-ethoxyphenyl)-N-(2-methylphenyl)propanediamide
CID 108952937
methyl 3-(2-ethoxyanilino)-3-oxopropanoate
CID 28637956
N-(2-cyanophenyl)-N'-(2-ethoxyphenyl)propanediamide
CID 108955712
2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(2-ethoxyphenyl)acetamide
CID 19317237
N-(3-chloro-4-methoxyphenyl)-N'-(2-ethoxyphenyl)propanediamide
CID 108955393
2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfonyl-N-phenylacetamide
CID 1180425
ethyl 4-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]benzoate
CID 51178437
N-(2-ethoxyphenyl)-4-(3-phenylpropanoylamino)benzamide
CID 1237348
CID 174193763
CID 174193763
(2R)-N-(4-acetylphenyl)-2-(2-ethoxyphenoxy)propanamide
CID 7840850
(2S)-N-(4-acetylphenyl)-2-(2-ethoxyphenoxy)propanamide
CID 7840848

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-N'-(2-ethoxyphenyl)propanediamide?
The IUPAC name of N-(4-acetylphenyl)-N'-(2-ethoxyphenyl)propanediamide (CID 108955673) is N-(4-acetylphenyl)-N'-(2-ethoxyphenyl)propanediamide.
What is the SMILES notation for N-(4-acetylphenyl)-N'-(2-ethoxyphenyl)propanediamide?
The canonical SMILES for N-(4-acetylphenyl)-N'-(2-ethoxyphenyl)propanediamide is CCOc1ccccc1NC(=O)CC(=O)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-N'-(2-ethoxyphenyl)propanediamide?
The InChIKey is ORARSJVJRCCFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-3-25-17-7-5-4-6-16(17)21-19(24)12-18(23)20-15-10-8-14(9-11-15)13(2)22/h4-11H,3,12H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-(4-acetylphenyl)-N'-(2-ethoxyphenyl)propanediamide?
N-(4-acetylphenyl)-N'-(2-ethoxyphenyl)propanediamide has a molecular weight of 340.38 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-N'-(2-ethoxyphenyl)propanediamide is sourced from PubChem (CID 108955673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).