2-(1-oxophthalazin-2-yl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide

C21H23N3O3 — CID 55782784

IUPAC2-(1-oxophthalazin-2-yl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide
SMILESCc1cc2c(o1)CC(C)(C)CC2NC(=O)Cn1ncc2ccccc2c1=O
InChIInChI=1S/C21H23N3O3/c1-13-8-16-17(9-21(2,3)10-18(16)27-13)23-19(25)12-24-20(26)15-7-5-4-6-14(15)11-22-24/h4-8,11,17H,9-10,12H2,1-3H3,(H,23,25)
InChIKeyADSHPKPKSYLOCD-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.13
Rot. Bonds3

About 2-(1-oxophthalazin-2-yl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide

2-(1-oxophthalazin-2-yl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide (PubChem CID 55782784) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-(1-oxophthalazin-2-yl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide.

Molecular Properties

Compound Name2-(1-oxophthalazin-2-yl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide
PubChem CID55782784
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name2-(1-oxophthalazin-2-yl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide
SMILESCc1cc2c(o1)CC(C)(C)CC2NC(=O)Cn1ncc2ccccc2c1=O
InChIInChI=1S/C21H23N3O3/c1-13-8-16-17(9-21(2,3)10-18(16)27-13)23-19(25)12-24-20(26)15-7-5-4-6-14(15)11-22-24/h4-8,11,17H,9-10,12H2,1-3H3,(H,23,25)
InChIKeyADSHPKPKSYLOCD-UHFFFAOYSA-N
XLogP3.13
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1-oxophthalazin-2-yl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-oxophthalazin-2-yl)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 97136352
2-(2,5-dioxoimidazolidin-1-yl)-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]acetamide
CID 95163208
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide
CID 55965160
3-ethylsulfanyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)propanamide
CID 47248732
5-chloro-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide
CID 43701687
2-[2-oxo-2-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)amino]ethyl]sulfanylacetic acid
CID 104569405
3-amino-3-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)butanamide
CID 64683856
N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2-(1-oxophthalazin-2-yl)acetamide
CID 86772662
2-(3,4,5-trimethoxyphenyl)-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]acetamide
CID 51958779
N-(2-methylpropyl)-2-(1-oxophthalazin-2-yl)acetamide
CID 9369051
N-[(2S)-butan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide
CID 9369028
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]propanamide
CID 51958801

Frequently Asked Questions

What is the IUPAC name of 2-(1-oxophthalazin-2-yl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide?
The IUPAC name of 2-(1-oxophthalazin-2-yl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide (CID 55782784) is 2-(1-oxophthalazin-2-yl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide.
What is the SMILES notation for 2-(1-oxophthalazin-2-yl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide?
The canonical SMILES for 2-(1-oxophthalazin-2-yl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide is Cc1cc2c(o1)CC(C)(C)CC2NC(=O)Cn1ncc2ccccc2c1=O.
What is the InChIKey of 2-(1-oxophthalazin-2-yl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide?
The InChIKey is ADSHPKPKSYLOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-13-8-16-17(9-21(2,3)10-18(16)27-13)23-19(25)12-24-20(26)15-7-5-4-6-14(15)11-22-24/h4-8,11,17H,9-10,12H2,1-3H3,(H,23,25).
What are the key properties of 2-(1-oxophthalazin-2-yl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide?
2-(1-oxophthalazin-2-yl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide has a molecular weight of 365.43 g/mol, XLogP of 3.13, 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-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide is sourced from PubChem (CID 55782784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).