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

C24H24N4O3 — CID 23449499

IUPAC5-(furan-2-ylmethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide
SMILESO=C(CCCCNCc1ccco1)Nc1cccc(-c2n[nH]c(=O)c3ccccc23)c1
InChIInChI=1S/C24H24N4O3/c29-22(12-3-4-13-25-16-19-9-6-14-31-19)26-18-8-5-7-17(15-18)23-20-10-1-2-11-21(20)24(30)28-27-23/h1-2,5-11,14-15,25H,3-4,12-13,16H2,(H,26,29)(H,28,30)
InChIKeyKJGHJTVVDDKIIT-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.08
Rot. Bonds9

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

5-(furan-2-ylmethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide (PubChem CID 23449499) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 5-(furan-2-ylmethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide.

Molecular Properties

Compound Name5-(furan-2-ylmethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide
PubChem CID23449499
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name5-(furan-2-ylmethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide
SMILESO=C(CCCCNCc1ccco1)Nc1cccc(-c2n[nH]c(=O)c3ccccc23)c1
InChIInChI=1S/C24H24N4O3/c29-22(12-3-4-13-25-16-19-9-6-14-31-19)26-18-8-5-7-17(15-18)23-20-10-1-2-11-21(20)24(30)28-27-23/h1-2,5-11,14-15,25H,3-4,12-13,16H2,(H,26,29)(H,28,30)
InChIKeyKJGHJTVVDDKIIT-UHFFFAOYSA-N
XLogP4.08
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.08
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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Related Compounds

5-(2-methylprop-2-enylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide;hydrochloride
CID 23449725
7-amino-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]heptanamide
CID 23449614
5-(tert-butylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide;hydrochloride
CID 23449435
4-(dimethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]butanamide
CID 23449483
4-cyano-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]butanamide
CID 23449518
5-[ethyl(methyl)amino]-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide;hydrochloride
CID 23449430
N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-thiomorpholin-4-ylpentanamide
CID 23449742
5-[methyl(2-methylpropyl)amino]-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide;hydrochloride
CID 23449597
5-[2-methoxyethyl(methyl)amino]-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide;hydrochloride
CID 23449543
N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]-2-propoxyacetamide
CID 142008536
1-(3-aminopropyl)-3-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]thiourea
CID 23449507
2-amino-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]acetamide;2,2,2-trifluoroacetic acid
CID 23449590

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide?
The IUPAC name of 5-(furan-2-ylmethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide (CID 23449499) is 5-(furan-2-ylmethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide.
What is the SMILES notation for 5-(furan-2-ylmethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide?
The canonical SMILES for 5-(furan-2-ylmethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide is O=C(CCCCNCc1ccco1)Nc1cccc(-c2n[nH]c(=O)c3ccccc23)c1.
What is the InChIKey of 5-(furan-2-ylmethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide?
The InChIKey is KJGHJTVVDDKIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c29-22(12-3-4-13-25-16-19-9-6-14-31-19)26-18-8-5-7-17(15-18)23-20-10-1-2-11-21(20)24(30)28-27-23/h1-2,5-11,14-15,25H,3-4,12-13,16H2,(H,26,29)(H,28,30).
What are the key properties of 5-(furan-2-ylmethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide?
5-(furan-2-ylmethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide has a molecular weight of 416.48 g/mol, XLogP of 4.08, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide is sourced from PubChem (CID 23449499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).