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

C23H27N3O3 — CID 134054462

IUPACN-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
SMILESCOc1ccccc1C(C)N(C)C(=O)c1nn(CC(C)C)c(=O)c2ccccc12
InChIInChI=1S/C23H27N3O3/c1-15(2)14-26-22(27)19-12-7-6-11-18(19)21(24-26)23(28)25(4)16(3)17-10-8-9-13-20(17)29-5/h6-13,15-16H,14H2,1-5H3
InChIKeyNUHIGVYXNCABRD-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.89
Rot. Bonds6

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

N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide (PubChem CID 134054462) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
PubChem CID134054462
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
SMILESCOc1ccccc1C(C)N(C)C(=O)c1nn(CC(C)C)c(=O)c2ccccc12
InChIInChI=1S/C23H27N3O3/c1-15(2)14-26-22(27)19-12-7-6-11-18(19)21(24-26)23(28)25(4)16(3)17-10-8-9-13-20(17)29-5/h6-13,15-16H,14H2,1-5H3
InChIKeyNUHIGVYXNCABRD-UHFFFAOYSA-N
XLogP3.89
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 9262899
N-methyl-N-[(2-methylphenyl)methyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 51158160
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 9418729
N-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 51159012
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 111596732
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 9437532
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 55612115
3-(2-methylpropyl)-4-oxo-N-phenylmethoxyphthalazine-1-carboxamide
CID 9227461
N-(3-amino-2-methylpropyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide;hydrochloride
CID 119997836
3,3-dimethylbutyl 3-(2-methylpropyl)-4-oxophthalazine-1-carboxylate
CID 78850673
N-[(2R)-2-(ethylamino)propyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 120653191
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N,3-bis(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 55340731

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide (CID 134054462) is N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide is COc1ccccc1C(C)N(C)C(=O)c1nn(CC(C)C)c(=O)c2ccccc12.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide?
The InChIKey is NUHIGVYXNCABRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-15(2)14-26-22(27)19-12-7-6-11-18(19)21(24-26)23(28)25(4)16(3)17-10-8-9-13-20(17)29-5/h6-13,15-16H,14H2,1-5H3.
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide?
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 134054462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).