3-butyl-N-cycloheptyl-4-oxophthalazine-1-carboxamide

C20H27N3O2 — CID 2085247

IUPAC3-butyl-N-cycloheptyl-4-oxophthalazine-1-carboxamide
SMILESCCCCn1nc(C(=O)NC2CCCCCC2)c2ccccc2c1=O
InChIInChI=1S/C20H27N3O2/c1-2-3-14-23-20(25)17-13-9-8-12-16(17)18(22-23)19(24)21-15-10-6-4-5-7-11-15/h8-9,12-13,15H,2-7,10-11,14H2,1H3,(H,21,24)
InChIKeyWYVZHIZJJNOSND-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.65
Rot. Bonds5

About 3-butyl-N-cycloheptyl-4-oxophthalazine-1-carboxamide

3-butyl-N-cycloheptyl-4-oxophthalazine-1-carboxamide (PubChem CID 2085247) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 3-butyl-N-cycloheptyl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound Name3-butyl-N-cycloheptyl-4-oxophthalazine-1-carboxamide
PubChem CID2085247
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name3-butyl-N-cycloheptyl-4-oxophthalazine-1-carboxamide
SMILESCCCCn1nc(C(=O)NC2CCCCCC2)c2ccccc2c1=O
InChIInChI=1S/C20H27N3O2/c1-2-3-14-23-20(25)17-13-9-8-12-16(17)18(22-23)19(24)21-15-10-6-4-5-7-11-15/h8-9,12-13,15H,2-7,10-11,14H2,1H3,(H,21,24)
InChIKeyWYVZHIZJJNOSND-UHFFFAOYSA-N
XLogP3.65
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-butyl-N-cycloheptyl-4-oxophthalazine-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

Talastine
CID 65624
N-methyl-2-(4-methyl-1-oxophthalazin-2(1H)-yl)acetamide
CID 655510
4-Methyl-1-oxo-2(1H)-phthalazineacetamide
CID 658785
4-((Dimethylamino)methyl)-1(2H)-phthalazinone
CID 1482313
N-methyl-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
CID 714735
3-[4-(4-methylphenyl)-1-oxophthalazin-2(1H)-yl]propanamide
CID 752678
N-cyclohexyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide
CID 1290998
2-(3-butyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-(2-(diethylamino)ethyl)acetamide
CID 1827716
3-(1-oxo-4-phenylphthalazin-2(1H)-yl)-N-propylpropanamide
CID 1884678
N-(2-hydroxyethyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide
CID 1957894
1-benzyl-N-cycloheptyl-6-oxopyridazine-3-carboxamide
CID 2579680
4-(3-methyl-4-oxophthalazin-1-yl)-N-propylbenzamide
CID 3155239

Frequently Asked Questions

What is the IUPAC name of 3-butyl-N-cycloheptyl-4-oxophthalazine-1-carboxamide?
The IUPAC name of 3-butyl-N-cycloheptyl-4-oxophthalazine-1-carboxamide (CID 2085247) is 3-butyl-N-cycloheptyl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for 3-butyl-N-cycloheptyl-4-oxophthalazine-1-carboxamide?
The canonical SMILES for 3-butyl-N-cycloheptyl-4-oxophthalazine-1-carboxamide is CCCCn1nc(C(=O)NC2CCCCCC2)c2ccccc2c1=O.
What is the InChIKey of 3-butyl-N-cycloheptyl-4-oxophthalazine-1-carboxamide?
The InChIKey is WYVZHIZJJNOSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-2-3-14-23-20(25)17-13-9-8-12-16(17)18(22-23)19(24)21-15-10-6-4-5-7-11-15/h8-9,12-13,15H,2-7,10-11,14H2,1H3,(H,21,24).
What are the key properties of 3-butyl-N-cycloheptyl-4-oxophthalazine-1-carboxamide?
3-butyl-N-cycloheptyl-4-oxophthalazine-1-carboxamide has a molecular weight of 341.45 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-N-cycloheptyl-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 2085247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).