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

C22H26N4O3 — CID 23449426

IUPAC5-[2-hydroxyethyl(methyl)amino]-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide
SMILESCN(CCO)CCCCC(=O)Nc1cccc(-c2n[nH]c(=O)c3ccccc23)c1
InChIInChI=1S/C22H26N4O3/c1-26(13-14-27)12-5-4-11-20(28)23-17-8-6-7-16(15-17)21-18-9-2-3-10-19(18)22(29)25-24-21/h2-3,6-10,15,27H,4-5,11-14H2,1H3,(H,23,28)(H,25,29)
InChIKeyQARGJIJEGYMYBI-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.62
Rot. Bonds9

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

5-[2-hydroxyethyl(methyl)amino]-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide (PubChem CID 23449426) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 5-[2-hydroxyethyl(methyl)amino]-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide.

Molecular Properties

Compound Name5-[2-hydroxyethyl(methyl)amino]-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide
PubChem CID23449426
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name5-[2-hydroxyethyl(methyl)amino]-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide
SMILESCN(CCO)CCCCC(=O)Nc1cccc(-c2n[nH]c(=O)c3ccccc23)c1
InChIInChI=1S/C22H26N4O3/c1-26(13-14-27)12-5-4-11-20(28)23-17-8-6-7-16(15-17)21-18-9-2-3-10-19(18)22(29)25-24-21/h2-3,6-10,15,27H,4-5,11-14H2,1H3,(H,23,28)(H,25,29)
InChIKeyQARGJIJEGYMYBI-UHFFFAOYSA-N
XLogP2.62
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.62
H-Bond Donors ≤ 53
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-hydroxyethyl(methyl)amino]-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide?
The IUPAC name of 5-[2-hydroxyethyl(methyl)amino]-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide (CID 23449426) is 5-[2-hydroxyethyl(methyl)amino]-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide.
What is the SMILES notation for 5-[2-hydroxyethyl(methyl)amino]-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide?
The canonical SMILES for 5-[2-hydroxyethyl(methyl)amino]-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide is CN(CCO)CCCCC(=O)Nc1cccc(-c2n[nH]c(=O)c3ccccc23)c1.
What is the InChIKey of 5-[2-hydroxyethyl(methyl)amino]-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide?
The InChIKey is QARGJIJEGYMYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-26(13-14-27)12-5-4-11-20(28)23-17-8-6-7-16(15-17)21-18-9-2-3-10-19(18)22(29)25-24-21/h2-3,6-10,15,27H,4-5,11-14H2,1H3,(H,23,28)(H,25,29).
What are the key properties of 5-[2-hydroxyethyl(methyl)amino]-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide?
5-[2-hydroxyethyl(methyl)amino]-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide has a molecular weight of 394.48 g/mol, XLogP of 2.62, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-hydroxyethyl(methyl)amino]-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide is sourced from PubChem (CID 23449426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).