2-(1-oxophthalazin-2-yl)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]acetamide

C22H23N3O3 — CID 97136352

IUPAC2-(1-oxophthalazin-2-yl)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]acetamide
SMILESCc1ccc2c(c1)[C@H](NC(=O)Cn1ncc3ccccc3c1=O)CC(C)(C)O2
InChIInChI=1S/C22H23N3O3/c1-14-8-9-19-17(10-14)18(11-22(2,3)28-19)24-20(26)13-25-21(27)16-7-5-4-6-15(16)12-23-25/h4-10,12,18H,11,13H2,1-3H3,(H,24,26)/t18-/m1/s1
InChIKeyJGIYPHAINBRYTP-GOSISDBHSA-N
MW377.44 g/mol
LogP3.12
Rot. Bonds3

About 2-(1-oxophthalazin-2-yl)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]acetamide

2-(1-oxophthalazin-2-yl)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]acetamide (PubChem CID 97136352) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-(1-oxophthalazin-2-yl)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]acetamide.

Molecular Properties

Compound Name2-(1-oxophthalazin-2-yl)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]acetamide
PubChem CID97136352
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name2-(1-oxophthalazin-2-yl)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]acetamide
SMILESCc1ccc2c(c1)[C@H](NC(=O)Cn1ncc3ccccc3c1=O)CC(C)(C)O2
InChIInChI=1S/C22H23N3O3/c1-14-8-9-19-17(10-14)18(11-22(2,3)28-19)24-20(26)13-25-21(27)16-7-5-4-6-15(16)12-23-25/h4-10,12,18H,11,13H2,1-3H3,(H,24,26)/t18-/m1/s1
InChIKeyJGIYPHAINBRYTP-GOSISDBHSA-N
XLogP3.12
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-oxophthalazin-2-yl)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]acetamide?
The IUPAC name of 2-(1-oxophthalazin-2-yl)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]acetamide (CID 97136352) is 2-(1-oxophthalazin-2-yl)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]acetamide.
What is the SMILES notation for 2-(1-oxophthalazin-2-yl)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]acetamide?
The canonical SMILES for 2-(1-oxophthalazin-2-yl)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]acetamide is Cc1ccc2c(c1)[C@H](NC(=O)Cn1ncc3ccccc3c1=O)CC(C)(C)O2.
What is the InChIKey of 2-(1-oxophthalazin-2-yl)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]acetamide?
The InChIKey is JGIYPHAINBRYTP-GOSISDBHSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-14-8-9-19-17(10-14)18(11-22(2,3)28-19)24-20(26)13-25-21(27)16-7-5-4-6-15(16)12-23-25/h4-10,12,18H,11,13H2,1-3H3,(H,24,26)/t18-/m1/s1.
What are the key properties of 2-(1-oxophthalazin-2-yl)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]acetamide?
2-(1-oxophthalazin-2-yl)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]acetamide has a molecular weight of 377.44 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxophthalazin-2-yl)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]acetamide is sourced from PubChem (CID 97136352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).