3-cyclopentyl-N-[1-(3,3-dimethylbutyl)-4-oxo-3H-phthalazin-6-yl]propanamide

C22H31N3O2 — CID 10292539

IUPAC3-cyclopentyl-N-[1-(3,3-dimethylbutyl)-4-oxo-3H-phthalazin-6-yl]propanamide
SMILESCC(C)(C)CCc1n[nH]c(=O)c2cc(NC(=O)CCC3CCCC3)ccc12
InChIInChI=1S/C22H31N3O2/c1-22(2,3)13-12-19-17-10-9-16(14-18(17)21(27)25-24-19)23-20(26)11-8-15-6-4-5-7-15/h9-10,14-15H,4-8,11-13H2,1-3H3,(H,23,26)(H,25,27)
InChIKeyOIMBQWMUIJWHLG-UHFFFAOYSA-N
MW369.51 g/mol
LogP4.81
Rot. Bonds6

About 3-cyclopentyl-N-[1-(3,3-dimethylbutyl)-4-oxo-3H-phthalazin-6-yl]propanamide

3-cyclopentyl-N-[1-(3,3-dimethylbutyl)-4-oxo-3H-phthalazin-6-yl]propanamide (PubChem CID 10292539) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 3-cyclopentyl-N-[1-(3,3-dimethylbutyl)-4-oxo-3H-phthalazin-6-yl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[1-(3,3-dimethylbutyl)-4-oxo-3H-phthalazin-6-yl]propanamide
PubChem CID10292539
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name3-cyclopentyl-N-[1-(3,3-dimethylbutyl)-4-oxo-3H-phthalazin-6-yl]propanamide
SMILESCC(C)(C)CCc1n[nH]c(=O)c2cc(NC(=O)CCC3CCCC3)ccc12
InChIInChI=1S/C22H31N3O2/c1-22(2,3)13-12-19-17-10-9-16(14-18(17)21(27)25-24-19)23-20(26)11-8-15-6-4-5-7-15/h9-10,14-15H,4-8,11-13H2,1-3H3,(H,23,26)(H,25,27)
InChIKeyOIMBQWMUIJWHLG-UHFFFAOYSA-N
XLogP4.81
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 9816296
CID 9816296
CID 11725479
CID 11725479
CID 10084561
CID 10084561
CID 947831
CID 947831
CID 600118
CID 600118
CID 23647030
CID 23647030
CID 23647032
CID 23647032
CID 23647042
CID 23647042
CID 23647045
CID 23647045
CID 23647049
CID 23647049
CID 23647043
CID 23647043
CID 9653017
CID 9653017

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[1-(3,3-dimethylbutyl)-4-oxo-3H-phthalazin-6-yl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[1-(3,3-dimethylbutyl)-4-oxo-3H-phthalazin-6-yl]propanamide (CID 10292539) is 3-cyclopentyl-N-[1-(3,3-dimethylbutyl)-4-oxo-3H-phthalazin-6-yl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[1-(3,3-dimethylbutyl)-4-oxo-3H-phthalazin-6-yl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[1-(3,3-dimethylbutyl)-4-oxo-3H-phthalazin-6-yl]propanamide is CC(C)(C)CCc1n[nH]c(=O)c2cc(NC(=O)CCC3CCCC3)ccc12.
What is the InChIKey of 3-cyclopentyl-N-[1-(3,3-dimethylbutyl)-4-oxo-3H-phthalazin-6-yl]propanamide?
The InChIKey is OIMBQWMUIJWHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-22(2,3)13-12-19-17-10-9-16(14-18(17)21(27)25-24-19)23-20(26)11-8-15-6-4-5-7-15/h9-10,14-15H,4-8,11-13H2,1-3H3,(H,23,26)(H,25,27).
What are the key properties of 3-cyclopentyl-N-[1-(3,3-dimethylbutyl)-4-oxo-3H-phthalazin-6-yl]propanamide?
3-cyclopentyl-N-[1-(3,3-dimethylbutyl)-4-oxo-3H-phthalazin-6-yl]propanamide has a molecular weight of 369.51 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[1-(3,3-dimethylbutyl)-4-oxo-3H-phthalazin-6-yl]propanamide is sourced from PubChem (CID 10292539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).