N-methyl-N-[(2-methylphenyl)methyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide

C22H25N3O2 — CID 51158160

IUPACN-methyl-N-[(2-methylphenyl)methyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
SMILESCc1ccccc1CN(C)C(=O)c1nn(CC(C)C)c(=O)c2ccccc12
InChIInChI=1S/C22H25N3O2/c1-15(2)13-25-21(26)19-12-8-7-11-18(19)20(23-25)22(27)24(4)14-17-10-6-5-9-16(17)3/h5-12,15H,13-14H2,1-4H3
InChIKeyNYLOTHLVGUKXRU-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.63
Rot. Bonds5

About N-methyl-N-[(2-methylphenyl)methyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide

N-methyl-N-[(2-methylphenyl)methyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide (PubChem CID 51158160) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-methyl-N-[(2-methylphenyl)methyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(2-methylphenyl)methyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
PubChem CID51158160
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-methyl-N-[(2-methylphenyl)methyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
SMILESCc1ccccc1CN(C)C(=O)c1nn(CC(C)C)c(=O)c2ccccc12
InChIInChI=1S/C22H25N3O2/c1-15(2)13-25-21(26)19-12-8-7-11-18(19)20(23-25)22(27)24(4)14-17-10-6-5-9-16(17)3/h5-12,15H,13-14H2,1-4H3
InChIKeyNYLOTHLVGUKXRU-UHFFFAOYSA-N
XLogP3.63
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 9437532
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 111596732
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 134054462
4-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]-2-(2-methylpropyl)phthalazin-1-one
CID 8641571
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 55612115
4-methyl-2-[[[3-(2-methylpropyl)-4-oxophthalazine-1-carbonyl]amino]methyl]pentanoic acid
CID 119253300
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 9418729
N-methyl-4-oxo-3-propyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]phthalazine-1-carboxamide
CID 31645422
N-methyl-4-oxo-3-propyl-N-[[2-(trifluoromethoxy)phenyl]methyl]phthalazine-1-carboxamide
CID 38075683
N-methyl-3-(2-methylpropyl)-4-oxo-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]phthalazine-1-carboxamide
CID 55960021
N-(3-amino-2-methylpropyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide;hydrochloride
CID 119997836
3-(2-methylpropyl)-4-oxo-N-pyridin-2-ylphthalazine-1-carboxamide
CID 51194000

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methylphenyl)methyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-methyl-N-[(2-methylphenyl)methyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide (CID 51158160) is N-methyl-N-[(2-methylphenyl)methyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-methyl-N-[(2-methylphenyl)methyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-methyl-N-[(2-methylphenyl)methyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide is Cc1ccccc1CN(C)C(=O)c1nn(CC(C)C)c(=O)c2ccccc12.
What is the InChIKey of N-methyl-N-[(2-methylphenyl)methyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide?
The InChIKey is NYLOTHLVGUKXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-15(2)13-25-21(26)19-12-8-7-11-18(19)20(23-25)22(27)24(4)14-17-10-6-5-9-16(17)3/h5-12,15H,13-14H2,1-4H3.
What are the key properties of N-methyl-N-[(2-methylphenyl)methyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide?
N-methyl-N-[(2-methylphenyl)methyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methylphenyl)methyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 51158160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).