N-(1-amino-2,4-dimethylpentan-2-yl)-4-oxo-3H-phthalazine-1-carboxamide

C16H22N4O2 — CID 119600049

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-4-oxo-3H-phthalazine-1-carboxamide
SMILESCC(C)CC(C)(CN)NC(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C16H22N4O2/c1-10(2)8-16(3,9-17)18-15(22)13-11-6-4-5-7-12(11)14(21)20-19-13/h4-7,10H,8-9,17H2,1-3H3,(H,18,22)(H,20,21)
InChIKeyLHOIOPTZVNGQEG-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.42
Rot. Bonds5

About N-(1-amino-2,4-dimethylpentan-2-yl)-4-oxo-3H-phthalazine-1-carboxamide

N-(1-amino-2,4-dimethylpentan-2-yl)-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 119600049) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID119600049
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-4-oxo-3H-phthalazine-1-carboxamide
SMILESCC(C)CC(C)(CN)NC(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C16H22N4O2/c1-10(2)8-16(3,9-17)18-15(22)13-11-6-4-5-7-12(11)14(21)20-19-13/h4-7,10H,8-9,17H2,1-3H3,(H,18,22)(H,20,21)
InChIKeyLHOIOPTZVNGQEG-UHFFFAOYSA-N
XLogP1.42
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(1-amino-2,4-dimethylpentan-2-yl)-4-oxo-3H-phthalazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-hydroxy-2,2-dimethylpentyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 111480109
N-(5-methylhexan-2-yl)-4-oxo-3H-phthalazine-1-carboxamide
CID 43398156
N-[(2R)-2-hydroxypropyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 83031398
4-oxo-N-[(2R)-2-phenylpropyl]-3H-phthalazine-1-carboxamide
CID 9070861
N'-(4-methylpentanoyl)-4-oxo-3H-phthalazine-1-carbohydrazide
CID 26873554
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2H-indazol-3-yl)acetamide;hydrochloride
CID 119599173
N-(3-ethylpent-1-yn-3-yl)-4-oxo-3H-phthalazine-1-carboxamide
CID 18165861
N'-(2-methylbutanoyl)-4-oxo-3H-phthalazine-1-carbohydrazide
CID 134012030
N-[(1S)-2-methyl-1-phenylpropyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 31355541
N-(1-cyclopropylethyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 43400571
N-(2-amino-2-ethylbutyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 119643507
N-[1-(4-fluorophenyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 17441646

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-4-oxo-3H-phthalazine-1-carboxamide (CID 119600049) is N-(1-amino-2,4-dimethylpentan-2-yl)-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-4-oxo-3H-phthalazine-1-carboxamide is CC(C)CC(C)(CN)NC(=O)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is LHOIOPTZVNGQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-10(2)8-16(3,9-17)18-15(22)13-11-6-4-5-7-12(11)14(21)20-19-13/h4-7,10H,8-9,17H2,1-3H3,(H,18,22)(H,20,21).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-4-oxo-3H-phthalazine-1-carboxamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 119600049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).