2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-methylpropyl)-N-[(E)-3-phenylprop-2-enyl]acetamide

C24H27N3O2 — CID 46983897

IUPAC2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-methylpropyl)-N-[(E)-3-phenylprop-2-enyl]acetamide
SMILESCc1nn(CC(=O)N(C/C=C/c2ccccc2)CC(C)C)c(=O)c2ccccc12
InChIInChI=1S/C24H27N3O2/c1-18(2)16-26(15-9-12-20-10-5-4-6-11-20)23(28)17-27-24(29)22-14-8-7-13-21(22)19(3)25-27/h4-14,18H,15-17H2,1-3H3/b12-9+
InChIKeyRULQDUVJTBQUQF-FMIVXFBMSA-N
MW389.50 g/mol
LogP3.90
Rot. Bonds7

About 2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-methylpropyl)-N-[(E)-3-phenylprop-2-enyl]acetamide

2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-methylpropyl)-N-[(E)-3-phenylprop-2-enyl]acetamide (PubChem CID 46983897) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-methylpropyl)-N-[(E)-3-phenylprop-2-enyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-methylpropyl)-N-[(E)-3-phenylprop-2-enyl]acetamide
PubChem CID46983897
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-methylpropyl)-N-[(E)-3-phenylprop-2-enyl]acetamide
SMILESCc1nn(CC(=O)N(C/C=C/c2ccccc2)CC(C)C)c(=O)c2ccccc12
InChIInChI=1S/C24H27N3O2/c1-18(2)16-26(15-9-12-20-10-5-4-6-11-20)23(28)17-27-24(29)22-14-8-7-13-21(22)19(3)25-27/h4-14,18H,15-17H2,1-3H3/b12-9+
InChIKeyRULQDUVJTBQUQF-FMIVXFBMSA-N
XLogP3.90
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-methylpropyl)-N-[(E)-3-phenylprop-2-enyl]acetamide?
The IUPAC name of 2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-methylpropyl)-N-[(E)-3-phenylprop-2-enyl]acetamide (CID 46983897) is 2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-methylpropyl)-N-[(E)-3-phenylprop-2-enyl]acetamide.
What is the SMILES notation for 2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-methylpropyl)-N-[(E)-3-phenylprop-2-enyl]acetamide?
The canonical SMILES for 2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-methylpropyl)-N-[(E)-3-phenylprop-2-enyl]acetamide is Cc1nn(CC(=O)N(C/C=C/c2ccccc2)CC(C)C)c(=O)c2ccccc12.
What is the InChIKey of 2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-methylpropyl)-N-[(E)-3-phenylprop-2-enyl]acetamide?
The InChIKey is RULQDUVJTBQUQF-FMIVXFBMSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-18(2)16-26(15-9-12-20-10-5-4-6-11-20)23(28)17-27-24(29)22-14-8-7-13-21(22)19(3)25-27/h4-14,18H,15-17H2,1-3H3/b12-9+.
What are the key properties of 2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-methylpropyl)-N-[(E)-3-phenylprop-2-enyl]acetamide?
2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-methylpropyl)-N-[(E)-3-phenylprop-2-enyl]acetamide has a molecular weight of 389.50 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-methylpropyl)-N-[(E)-3-phenylprop-2-enyl]acetamide is sourced from PubChem (CID 46983897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).