N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

C21H27N3O2 — CID 124812329

IUPACN-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCn1nc(CC(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c2ccccc2c1=O
InChIInChI=1S/C21H27N3O2/c1-24-21(26)18-9-5-4-8-17(18)19(23-24)13-20(25)22-16-11-10-14-6-2-3-7-15(14)12-16/h4-5,8-9,14-16H,2-3,6-7,10-13H2,1H3,(H,22,25)/t14-,15-,16+/m0/s1
InChIKeyVNVWJQNQTXFMMO-HRCADAONSA-N
MW353.47 g/mol
LogP2.95
Rot. Bonds3

About N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (PubChem CID 124812329) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
PubChem CID124812329
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCn1nc(CC(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c2ccccc2c1=O
InChIInChI=1S/C21H27N3O2/c1-24-21(26)18-9-5-4-8-17(18)19(23-24)13-20(25)22-16-11-10-14-6-2-3-7-15(14)12-16/h4-5,8-9,14-16H,2-3,6-7,10-13H2,1H3,(H,22,25)/t14-,15-,16+/m0/s1
InChIKeyVNVWJQNQTXFMMO-HRCADAONSA-N
XLogP2.95
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide with MolForge

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Related Compounds

N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 27710609
N-(2-cyclopentylsulfanylethyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 32542356
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 17498127
2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-methylpiperazin-1-yl)acetamide
CID 9205666
N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 55953291
N-cyclopropyl-1-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]piperidine-3-carboxamide
CID 49352294
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 55949418
2-(3-methyl-4-oxophthalazin-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 9301808
2-(3-methyl-4-oxophthalazin-1-yl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
CID 35234780
N-(2-hydroxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 17400514
2-methyl-4-[2-oxo-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethyl]phthalazin-1-one
CID 55379468
1-[[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120543615

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The IUPAC name of N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (CID 124812329) is N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.
What is the SMILES notation for N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The canonical SMILES for N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is Cn1nc(CC(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c2ccccc2c1=O.
What is the InChIKey of N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The InChIKey is VNVWJQNQTXFMMO-HRCADAONSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-24-21(26)18-9-5-4-8-17(18)19(23-24)13-20(25)22-16-11-10-14-6-2-3-7-15(14)12-16/h4-5,8-9,14-16H,2-3,6-7,10-13H2,1H3,(H,22,25)/t14-,15-,16+/m0/s1.
What are the key properties of N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide has a molecular weight of 353.47 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is sourced from PubChem (CID 124812329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).