N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-2-(4-ethoxyphenyl)acetamide

C18H17N3O4 — CID 110745630

IUPACN-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-2-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(CC(=O)Nc2ccc3c(=O)[nH][nH]c(=O)c3c2)cc1
InChIInChI=1S/C18H17N3O4/c1-2-25-13-6-3-11(4-7-13)9-16(22)19-12-5-8-14-15(10-12)18(24)21-20-17(14)23/h3-8,10H,2,9H2,1H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyKKSQXOKXAXJBPX-UHFFFAOYSA-N
MW339.35 g/mol
LogP1.80
Rot. Bonds5

About N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-2-(4-ethoxyphenyl)acetamide

N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-2-(4-ethoxyphenyl)acetamide (PubChem CID 110745630) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-2-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-2-(4-ethoxyphenyl)acetamide
PubChem CID110745630
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC NameN-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-2-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(CC(=O)Nc2ccc3c(=O)[nH][nH]c(=O)c3c2)cc1
InChIInChI=1S/C18H17N3O4/c1-2-25-13-6-3-11(4-7-13)9-16(22)19-12-5-8-14-15(10-12)18(24)21-20-17(14)23/h3-8,10H,2,9H2,1H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyKKSQXOKXAXJBPX-UHFFFAOYSA-N
XLogP1.80
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-2-(4-fluorophenyl)acetamide
CID 2289388
2-(4-bromophenyl)-N-(4-ethoxyphenyl)acetamide
CID 2268503
N-(4-bromophenyl)-2-(4-ethoxyphenyl)acetamide
CID 8719858
methyl 3-[[2-(4-ethoxyphenyl)acetyl]amino]benzoate
CID 17414832
N-(3-amino-4-chlorophenyl)-2-(4-ethoxyphenyl)acetamide
CID 28866983
2-(4-ethoxyphenyl)-N-(3-fluorophenyl)acetamide
CID 26579486
2-(4-ethoxyphenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 24583920
N-(3-chloro-4-methoxyphenyl)-2-(4-ethoxyphenyl)acetamide
CID 26823011
2-(4-ethoxyphenyl)-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)acetamide
CID 90524772
N-(4-ethoxyphenyl)-2-naphthalen-2-ylacetamide
CID 2992988
2-[4-(dimethylsulfamoyl)phenyl]-N-(4-ethoxyphenyl)acetamide
CID 110674552
N-(4-ethoxyphenyl)-2-(4-nitrophenyl)acetamide
CID 1377182

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-2-(4-ethoxyphenyl)acetamide?
The IUPAC name of N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-2-(4-ethoxyphenyl)acetamide (CID 110745630) is N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-2-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-2-(4-ethoxyphenyl)acetamide?
The canonical SMILES for N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-2-(4-ethoxyphenyl)acetamide is CCOc1ccc(CC(=O)Nc2ccc3c(=O)[nH][nH]c(=O)c3c2)cc1.
What is the InChIKey of N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-2-(4-ethoxyphenyl)acetamide?
The InChIKey is KKSQXOKXAXJBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-2-25-13-6-3-11(4-7-13)9-16(22)19-12-5-8-14-15(10-12)18(24)21-20-17(14)23/h3-8,10H,2,9H2,1H3,(H,19,22)(H,20,23)(H,21,24).
What are the key properties of N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-2-(4-ethoxyphenyl)acetamide?
N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-2-(4-ethoxyphenyl)acetamide has a molecular weight of 339.35 g/mol, XLogP of 1.80, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-2-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 110745630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).