4-methyl-3-(1-propan-2-yloxyphthalazin-6-yl)benzamide

C19H19N3O2 — CID 11848250

IUPAC4-methyl-3-(1-propan-2-yloxyphthalazin-6-yl)benzamide
SMILESCc1ccc(C(N)=O)cc1-c1ccc2c(OC(C)C)nncc2c1
InChIInChI=1S/C19H19N3O2/c1-11(2)24-19-16-7-6-13(8-15(16)10-21-22-19)17-9-14(18(20)23)5-4-12(17)3/h4-11H,1-3H3,(H2,20,23)
InChIKeyMWFWWYHDZNVSGV-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.49
Rot. Bonds4

About 4-methyl-3-(1-propan-2-yloxyphthalazin-6-yl)benzamide

4-methyl-3-(1-propan-2-yloxyphthalazin-6-yl)benzamide (PubChem CID 11848250) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-methyl-3-(1-propan-2-yloxyphthalazin-6-yl)benzamide.

Molecular Properties

Compound Name4-methyl-3-(1-propan-2-yloxyphthalazin-6-yl)benzamide
PubChem CID11848250
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name4-methyl-3-(1-propan-2-yloxyphthalazin-6-yl)benzamide
SMILESCc1ccc(C(N)=O)cc1-c1ccc2c(OC(C)C)nncc2c1
InChIInChI=1S/C19H19N3O2/c1-11(2)24-19-16-7-6-13(8-15(16)10-21-22-19)17-9-14(18(20)23)5-4-12(17)3/h4-11H,1-3H3,(H2,20,23)
InChIKeyMWFWWYHDZNVSGV-UHFFFAOYSA-N
XLogP3.49
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(1-propan-2-yloxyphthalazin-6-yl)benzamide?
The IUPAC name of 4-methyl-3-(1-propan-2-yloxyphthalazin-6-yl)benzamide (CID 11848250) is 4-methyl-3-(1-propan-2-yloxyphthalazin-6-yl)benzamide.
What is the SMILES notation for 4-methyl-3-(1-propan-2-yloxyphthalazin-6-yl)benzamide?
The canonical SMILES for 4-methyl-3-(1-propan-2-yloxyphthalazin-6-yl)benzamide is Cc1ccc(C(N)=O)cc1-c1ccc2c(OC(C)C)nncc2c1.
What is the InChIKey of 4-methyl-3-(1-propan-2-yloxyphthalazin-6-yl)benzamide?
The InChIKey is MWFWWYHDZNVSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-11(2)24-19-16-7-6-13(8-15(16)10-21-22-19)17-9-14(18(20)23)5-4-12(17)3/h4-11H,1-3H3,(H2,20,23).
What are the key properties of 4-methyl-3-(1-propan-2-yloxyphthalazin-6-yl)benzamide?
4-methyl-3-(1-propan-2-yloxyphthalazin-6-yl)benzamide has a molecular weight of 321.38 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(1-propan-2-yloxyphthalazin-6-yl)benzamide is sourced from PubChem (CID 11848250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).