N-(2-adamantyl)-N-methyl-2-(1-oxophthalazin-2-yl)acetamide

C21H25N3O2 — CID 86930822

IUPACN-(2-adamantyl)-N-methyl-2-(1-oxophthalazin-2-yl)acetamide
SMILESCN(C(=O)Cn1ncc2ccccc2c1=O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C21H25N3O2/c1-23(20-16-7-13-6-14(9-16)10-17(20)8-13)19(25)12-24-21(26)18-5-3-2-4-15(18)11-22-24/h2-5,11,13-14,16-17,20H,6-10,12H2,1H3
InChIKeyVQAWPLIRTAGJKH-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.68
Rot. Bonds3

About N-(2-adamantyl)-N-methyl-2-(1-oxophthalazin-2-yl)acetamide

N-(2-adamantyl)-N-methyl-2-(1-oxophthalazin-2-yl)acetamide (PubChem CID 86930822) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(2-adamantyl)-N-methyl-2-(1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-adamantyl)-N-methyl-2-(1-oxophthalazin-2-yl)acetamide
PubChem CID86930822
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-(2-adamantyl)-N-methyl-2-(1-oxophthalazin-2-yl)acetamide
SMILESCN(C(=O)Cn1ncc2ccccc2c1=O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C21H25N3O2/c1-23(20-16-7-13-6-14(9-16)10-17(20)8-13)19(25)12-24-21(26)18-5-3-2-4-15(18)11-22-24/h2-5,11,13-14,16-17,20H,6-10,12H2,1H3
InChIKeyVQAWPLIRTAGJKH-UHFFFAOYSA-N
XLogP2.68
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-oxophthalazin-2-yl)-N,N-di(propan-2-yl)acetamide
CID 60602382
N-[(2-bromophenyl)methyl]-N-methyl-2-(1-oxophthalazin-2-yl)acetamide
CID 35682568
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(1-oxophthalazin-2-yl)acetamide
CID 109399939
2-phenacylphthalazin-1-one
CID 60774188
N-(3-amino-4-methylpentyl)-N-methyl-2-(1-oxophthalazin-2-yl)acetamide;hydrochloride
CID 119657464
1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-[[2-(1-oxophthalazin-2-yl)acetyl]amino]thiourea
CID 11895228
N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(1-oxophthalazin-2-yl)acetamide
CID 36545692
2-[2-(dimethylamino)ethyl]phthalazin-1-one;hydrochloride
CID 3057187
2-(3-oxobutyl)phthalazin-1-one
CID 60724062
N-(2-methylpropyl)-2-(1-oxophthalazin-2-yl)acetamide
CID 9369051
N-[(2S)-butan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide
CID 9369028
2-[2-[(4R)-4-ethylazepan-1-yl]-2-oxoethyl]phthalazin-1-one
CID 99481238

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-N-methyl-2-(1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-(2-adamantyl)-N-methyl-2-(1-oxophthalazin-2-yl)acetamide (CID 86930822) is N-(2-adamantyl)-N-methyl-2-(1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-(2-adamantyl)-N-methyl-2-(1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-(2-adamantyl)-N-methyl-2-(1-oxophthalazin-2-yl)acetamide is CN(C(=O)Cn1ncc2ccccc2c1=O)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-N-methyl-2-(1-oxophthalazin-2-yl)acetamide?
The InChIKey is VQAWPLIRTAGJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-23(20-16-7-13-6-14(9-16)10-17(20)8-13)19(25)12-24-21(26)18-5-3-2-4-15(18)11-22-24/h2-5,11,13-14,16-17,20H,6-10,12H2,1H3.
What are the key properties of N-(2-adamantyl)-N-methyl-2-(1-oxophthalazin-2-yl)acetamide?
N-(2-adamantyl)-N-methyl-2-(1-oxophthalazin-2-yl)acetamide has a molecular weight of 351.45 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-N-methyl-2-(1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 86930822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).