2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-[2-(propylamino)ethyl]acetamide

C15H24N4O2 — CID 66966719

IUPAC2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-[2-(propylamino)ethyl]acetamide
SMILESCCCNCCNC(=O)Cc1n[nH]c(=O)c2c1CCCC2
InChIInChI=1S/C15H24N4O2/c1-2-7-16-8-9-17-14(20)10-13-11-5-3-4-6-12(11)15(21)19-18-13/h16H,2-10H2,1H3,(H,17,20)(H,19,21)
InChIKeyYAYIFRJUKJBXIY-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.31
Rot. Bonds7

About 2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-[2-(propylamino)ethyl]acetamide

2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-[2-(propylamino)ethyl]acetamide (PubChem CID 66966719) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-[2-(propylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-[2-(propylamino)ethyl]acetamide
PubChem CID66966719
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-[2-(propylamino)ethyl]acetamide
SMILESCCCNCCNC(=O)Cc1n[nH]c(=O)c2c1CCCC2
InChIInChI=1S/C15H24N4O2/c1-2-7-16-8-9-17-14(20)10-13-11-5-3-4-6-12(11)15(21)19-18-13/h16H,2-10H2,1H3,(H,17,20)(H,19,21)
InChIKeyYAYIFRJUKJBXIY-UHFFFAOYSA-N
XLogP0.31
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-[2-(propylamino)ethyl]acetamide?
The IUPAC name of 2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-[2-(propylamino)ethyl]acetamide (CID 66966719) is 2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-[2-(propylamino)ethyl]acetamide.
What is the SMILES notation for 2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-[2-(propylamino)ethyl]acetamide?
The canonical SMILES for 2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-[2-(propylamino)ethyl]acetamide is CCCNCCNC(=O)Cc1n[nH]c(=O)c2c1CCCC2.
What is the InChIKey of 2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-[2-(propylamino)ethyl]acetamide?
The InChIKey is YAYIFRJUKJBXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-2-7-16-8-9-17-14(20)10-13-11-5-3-4-6-12(11)15(21)19-18-13/h16H,2-10H2,1H3,(H,17,20)(H,19,21).
What are the key properties of 2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-[2-(propylamino)ethyl]acetamide?
2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-[2-(propylamino)ethyl]acetamide has a molecular weight of 292.38 g/mol, XLogP of 0.31, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-[2-(propylamino)ethyl]acetamide is sourced from PubChem (CID 66966719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).