N-(2-amino-2-ethylbutyl)-4-oxo-3H-phthalazine-1-carboxamide

C15H20N4O2 — CID 119643507

IUPACN-(2-amino-2-ethylbutyl)-4-oxo-3H-phthalazine-1-carboxamide
SMILESCCC(N)(CC)CNC(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C15H20N4O2/c1-3-15(16,4-2)9-17-14(21)12-10-7-5-6-8-11(10)13(20)19-18-12/h5-8H,3-4,9,16H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyUNDPAHHRUUWEPZ-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.17
Rot. Bonds5

About N-(2-amino-2-ethylbutyl)-4-oxo-3H-phthalazine-1-carboxamide

N-(2-amino-2-ethylbutyl)-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 119643507) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID119643507
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-(2-amino-2-ethylbutyl)-4-oxo-3H-phthalazine-1-carboxamide
SMILESCCC(N)(CC)CNC(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C15H20N4O2/c1-3-15(16,4-2)9-17-14(21)12-10-7-5-6-8-11(10)13(20)19-18-12/h5-8H,3-4,9,16H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyUNDPAHHRUUWEPZ-UHFFFAOYSA-N
XLogP1.17
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(2-amino-2-ethylbutyl)-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-(3-ethylpent-1-yn-3-yl)-4-oxo-3H-phthalazine-1-carboxamide
CID 18165861
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-[2-(methylsulfamoyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 102685137
N-(3-amino-2-hydroxy-3-oxopropyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 107261147
4-oxo-N-[(2R)-2-phenylbutyl]-3H-phthalazine-1-carboxamide
CID 9406737
N-[(5-methylthiophen-2-yl)methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 60972041
N-(4-ethyloxan-4-yl)-4-oxo-3H-phthalazine-1-carboxamide
CID 146123703
N'-(2-methylbutanoyl)-4-oxo-3H-phthalazine-1-carbohydrazide
CID 134012030
N-[2-(2-amino-2-oxoethoxy)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 103767680
N-(4-ethylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 756039

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-4-oxo-3H-phthalazine-1-carboxamide (CID 119643507) is N-(2-amino-2-ethylbutyl)-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-4-oxo-3H-phthalazine-1-carboxamide is CCC(N)(CC)CNC(=O)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is UNDPAHHRUUWEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-15(16,4-2)9-17-14(21)12-10-7-5-6-8-11(10)13(20)19-18-12/h5-8H,3-4,9,16H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of N-(2-amino-2-ethylbutyl)-4-oxo-3H-phthalazine-1-carboxamide?
N-(2-amino-2-ethylbutyl)-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 119643507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).