N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide

C20H20N4O4 — CID 9419018

IUPACN-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)Cc2n[nH]c(=O)c3ccccc23)cc1
InChIInChI=1S/C20H20N4O4/c1-24(12-18(25)21-13-7-9-14(28-2)10-8-13)19(26)11-17-15-5-3-4-6-16(15)20(27)23-22-17/h3-10H,11-12H2,1-2H3,(H,21,25)(H,23,27)
InChIKeyUGCLONZAEHPCDC-UHFFFAOYSA-N
MW380.40 g/mol
LogP1.57
Rot. Bonds6

About N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide

N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide (PubChem CID 9419018) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide
PubChem CID9419018
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC NameN-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)Cc2n[nH]c(=O)c3ccccc23)cc1
InChIInChI=1S/C20H20N4O4/c1-24(12-18(25)21-13-7-9-14(28-2)10-8-13)19(26)11-17-15-5-3-4-6-16(15)20(27)23-22-17/h3-10H,11-12H2,1-2H3,(H,21,25)(H,23,27)
InChIKeyUGCLONZAEHPCDC-UHFFFAOYSA-N
XLogP1.57
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The IUPAC name of N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide (CID 9419018) is N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide.
What is the SMILES notation for N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The canonical SMILES for N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide is COc1ccc(NC(=O)CN(C)C(=O)Cc2n[nH]c(=O)c3ccccc23)cc1.
What is the InChIKey of N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The InChIKey is UGCLONZAEHPCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-24(12-18(25)21-13-7-9-14(28-2)10-8-13)19(26)11-17-15-5-3-4-6-16(15)20(27)23-22-17/h3-10H,11-12H2,1-2H3,(H,21,25)(H,23,27).
What are the key properties of N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide has a molecular weight of 380.40 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide is sourced from PubChem (CID 9419018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).