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

C19H27N3O3 — CID 110002505

IUPACN-(1-hydroxy-3-methylpentan-3-yl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
SMILESCCC(C)(CCO)NC(=O)c1nn(CC(C)C)c(=O)c2ccccc12
InChIInChI=1S/C19H27N3O3/c1-5-19(4,10-11-23)20-17(24)16-14-8-6-7-9-15(14)18(25)22(21-16)12-13(2)3/h6-9,13,23H,5,10-12H2,1-4H3,(H,20,24)
InChIKeyZMKNFBPNCZTWKG-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.33
Rot. Bonds7

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

N-(1-hydroxy-3-methylpentan-3-yl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide (PubChem CID 110002505) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylpentan-3-yl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylpentan-3-yl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
PubChem CID110002505
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-(1-hydroxy-3-methylpentan-3-yl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
SMILESCCC(C)(CCO)NC(=O)c1nn(CC(C)C)c(=O)c2ccccc12
InChIInChI=1S/C19H27N3O3/c1-5-19(4,10-11-23)20-17(24)16-14-8-6-7-9-15(14)18(25)22(21-16)12-13(2)3/h6-9,13,23H,5,10-12H2,1-4H3,(H,20,24)
InChIKeyZMKNFBPNCZTWKG-UHFFFAOYSA-N
XLogP2.33
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 120653191
3-(2-methylpropyl)-4-oxo-N-(4-propylphenyl)phthalazine-1-carboxamide
CID 9293948
N-[4-[(2R)-butan-2-yl]phenyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 7935649
N-[2-(1,3-benzodioxol-5-yl)propan-2-yl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 95049477
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 111596732
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
3,3-dimethylbutyl 3-(2-methylpropyl)-4-oxophthalazine-1-carboxylate
CID 78850673
N-(3,5-dimethylphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 3944118
3-(2-methylpropyl)-4-oxo-N-(4-phenylphenyl)phthalazine-1-carboxamide
CID 7925968
N-(2-acetylphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 51148476
4-methyl-2-[[[3-(2-methylpropyl)-4-oxophthalazine-1-carbonyl]amino]methyl]pentanoic acid
CID 119253300

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide (CID 110002505) is N-(1-hydroxy-3-methylpentan-3-yl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-(1-hydroxy-3-methylpentan-3-yl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-(1-hydroxy-3-methylpentan-3-yl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide is CCC(C)(CCO)NC(=O)c1nn(CC(C)C)c(=O)c2ccccc12.
What is the InChIKey of N-(1-hydroxy-3-methylpentan-3-yl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide?
The InChIKey is ZMKNFBPNCZTWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-5-19(4,10-11-23)20-17(24)16-14-8-6-7-9-15(14)18(25)22(21-16)12-13(2)3/h6-9,13,23H,5,10-12H2,1-4H3,(H,20,24).
What are the key properties of N-(1-hydroxy-3-methylpentan-3-yl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide?
N-(1-hydroxy-3-methylpentan-3-yl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylpentan-3-yl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 110002505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).