5-(2-hydroxyethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide

C21H24N4O3 — CID 23449509

IUPAC5-(2-hydroxyethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide
SMILESO=C(CCCCNCCO)Nc1cccc(-c2n[nH]c(=O)c3ccccc23)c1
InChIInChI=1S/C21H24N4O3/c26-13-12-22-11-4-3-10-19(27)23-16-7-5-6-15(14-16)20-17-8-1-2-9-18(17)21(28)25-24-20/h1-2,5-9,14,22,26H,3-4,10-13H2,(H,23,27)(H,25,28)
InChIKeyGTWANPVUCJXWIU-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.28
Rot. Bonds9

About 5-(2-hydroxyethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide

5-(2-hydroxyethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide (PubChem CID 23449509) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 5-(2-hydroxyethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide.

Molecular Properties

Compound Name5-(2-hydroxyethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide
PubChem CID23449509
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name5-(2-hydroxyethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide
SMILESO=C(CCCCNCCO)Nc1cccc(-c2n[nH]c(=O)c3ccccc23)c1
InChIInChI=1S/C21H24N4O3/c26-13-12-22-11-4-3-10-19(27)23-16-7-5-6-15(14-16)20-17-8-1-2-9-18(17)21(28)25-24-20/h1-2,5-9,14,22,26H,3-4,10-13H2,(H,23,27)(H,25,28)
InChIKeyGTWANPVUCJXWIU-UHFFFAOYSA-N
XLogP2.28
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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 5-(2-hydroxyethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide?
The IUPAC name of 5-(2-hydroxyethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide (CID 23449509) is 5-(2-hydroxyethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide.
What is the SMILES notation for 5-(2-hydroxyethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide?
The canonical SMILES for 5-(2-hydroxyethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide is O=C(CCCCNCCO)Nc1cccc(-c2n[nH]c(=O)c3ccccc23)c1.
What is the InChIKey of 5-(2-hydroxyethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide?
The InChIKey is GTWANPVUCJXWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c26-13-12-22-11-4-3-10-19(27)23-16-7-5-6-15(14-16)20-17-8-1-2-9-18(17)21(28)25-24-20/h1-2,5-9,14,22,26H,3-4,10-13H2,(H,23,27)(H,25,28).
What are the key properties of 5-(2-hydroxyethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide?
5-(2-hydroxyethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide has a molecular weight of 380.45 g/mol, XLogP of 2.28, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide is sourced from PubChem (CID 23449509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).