4-oxo-N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]butanamide

C19H17N3O3 — CID 88999580

IUPAC4-oxo-N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]butanamide
SMILESO=CCCC(=O)Nc1cccc(Cc2n[nH]c(=O)c3ccccc23)c1
InChIInChI=1S/C19H17N3O3/c23-10-4-9-18(24)20-14-6-3-5-13(11-14)12-17-15-7-1-2-8-16(15)19(25)22-21-17/h1-3,5-8,10-11H,4,9,12H2,(H,20,24)(H,22,25)
InChIKeyUTMWJKUAEDSURO-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.43
Rot. Bonds6

About 4-oxo-N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]butanamide

4-oxo-N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]butanamide (PubChem CID 88999580) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 4-oxo-N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]butanamide.

Molecular Properties

Compound Name4-oxo-N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]butanamide
PubChem CID88999580
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name4-oxo-N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]butanamide
SMILESO=CCCC(=O)Nc1cccc(Cc2n[nH]c(=O)c3ccccc23)c1
InChIInChI=1S/C19H17N3O3/c23-10-4-9-18(24)20-14-6-3-5-13(11-14)12-17-15-7-1-2-8-16(15)19(25)22-21-17/h1-3,5-8,10-11H,4,9,12H2,(H,20,24)(H,22,25)
InChIKeyUTMWJKUAEDSURO-UHFFFAOYSA-N
XLogP2.43
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]thiophene-2-carboxamide
CID 70806948
2-(4-oxo-3H-phthalazin-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 46423982
3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-1,2-oxazole-4-carboxamide
CID 70867849
N-[3-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]phenyl]-3-phenylpropanamide
CID 69044242
N-[1-[(3-fluorophenyl)methyl]-4-oxo-3H-phthalazin-6-yl]propanamide
CID 69151061
N-(3-methylsulfanylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 4802653
6-fluoro-N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-4H-1,3-benzodioxine-8-carboxamide
CID 70807031
4-[[3-(2,5-dihydroxypyrrol-1-yl)phenyl]methyl]-2H-phthalazin-1-one
CID 91219912
4-[(3-propan-2-yloxyphenyl)methyl]-2H-phthalazin-1-one
CID 82371112
7-amino-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]heptanamide
CID 23449614
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

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]butanamide?
The IUPAC name of 4-oxo-N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]butanamide (CID 88999580) is 4-oxo-N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]butanamide.
What is the SMILES notation for 4-oxo-N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]butanamide?
The canonical SMILES for 4-oxo-N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]butanamide is O=CCCC(=O)Nc1cccc(Cc2n[nH]c(=O)c3ccccc23)c1.
What is the InChIKey of 4-oxo-N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]butanamide?
The InChIKey is UTMWJKUAEDSURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c23-10-4-9-18(24)20-14-6-3-5-13(11-14)12-17-15-7-1-2-8-16(15)19(25)22-21-17/h1-3,5-8,10-11H,4,9,12H2,(H,20,24)(H,22,25).
What are the key properties of 4-oxo-N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]butanamide?
4-oxo-N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]butanamide has a molecular weight of 335.36 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]butanamide is sourced from PubChem (CID 88999580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).