N-methyl-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide

C18H17N3O2 — CID 714735

IUPACN-methyl-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
SMILESCNC(=O)Cn1nc(-c2ccc(C)cc2)c2ccccc2c1=O
InChIInChI=1S/C18H17N3O2/c1-12-7-9-13(10-8-12)17-14-5-3-4-6-15(14)18(23)21(20-17)11-16(22)19-2/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeySMUHPTZMGKBFCR-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.12
Rot. Bonds3

About N-methyl-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide

N-methyl-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide (PubChem CID 714735) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-methyl-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
PubChem CID714735
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-methyl-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
SMILESCNC(=O)Cn1nc(-c2ccc(C)cc2)c2ccccc2c1=O
InChIInChI=1S/C18H17N3O2/c1-12-7-9-13(10-8-12)17-14-5-3-4-6-15(14)18(23)21(20-17)11-16(22)19-2/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeySMUHPTZMGKBFCR-UHFFFAOYSA-N
XLogP2.12
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide?
The IUPAC name of N-methyl-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide (CID 714735) is N-methyl-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide is CNC(=O)Cn1nc(-c2ccc(C)cc2)c2ccccc2c1=O.
What is the InChIKey of N-methyl-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide?
The InChIKey is SMUHPTZMGKBFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-12-7-9-13(10-8-12)17-14-5-3-4-6-15(14)18(23)21(20-17)11-16(22)19-2/h3-10H,11H2,1-2H3,(H,19,22).
What are the key properties of N-methyl-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide?
N-methyl-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide has a molecular weight of 307.35 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide is sourced from PubChem (CID 714735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).