N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide

C19H27N3O3 — CID 111596732

IUPACN-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1nn(CC(C)C)c(=O)c2ccccc12
InChIInChI=1S/C19H27N3O3/c1-6-21(12-19(4,5)25)18(24)16-14-9-7-8-10-15(14)17(23)22(20-16)11-13(2)3/h7-10,13,25H,6,11-12H2,1-5H3
InChIKeyMYUUVOFVUQMPLM-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.29
Rot. Bonds6

About N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide

N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide (PubChem CID 111596732) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
PubChem CID111596732
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1nn(CC(C)C)c(=O)c2ccccc12
InChIInChI=1S/C19H27N3O3/c1-6-21(12-19(4,5)25)18(24)16-14-9-7-8-10-15(14)17(23)22(20-16)11-13(2)3/h7-10,13,25H,6,11-12H2,1-5H3
InChIKeyMYUUVOFVUQMPLM-UHFFFAOYSA-N
XLogP2.29
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[(2-methylphenyl)methyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 51158160
N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-methylindazole-3-carboxamide
CID 103120277
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-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 134054462
N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 79377425
4-methyl-2-[[[3-(2-methylpropyl)-4-oxophthalazine-1-carbonyl]amino]methyl]pentanoic acid
CID 119253300
N-(1-hydroxy-3-methylpentan-3-yl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 110002505
N,3-dibenzyl-N-ethyl-4-oxophthalazine-1-carboxamide
CID 9098536
N-(3-amino-2-methylpropyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide;hydrochloride
CID 119997836
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 9437532
N-ethyl-N-(2-ethylbutyl)-4-oxo-3-pentylphthalazine-1-carboxamide
CID 55689000

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide (CID 111596732) is N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide is CCN(CC(C)(C)O)C(=O)c1nn(CC(C)C)c(=O)c2ccccc12.
What is the InChIKey of N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide?
The InChIKey is MYUUVOFVUQMPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-6-21(12-19(4,5)25)18(24)16-14-9-7-8-10-15(14)17(23)22(20-16)11-13(2)3/h7-10,13,25H,6,11-12H2,1-5H3.
What are the key properties of N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide?
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 111596732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).