N,N-diethyl-4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]benzamide

C25H24N4O2 — CID 1389743

IUPACN,N-diethyl-4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(Nc2nnc(-c3ccc(O)cc3)c3ccccc23)cc1
InChIInChI=1S/C25H24N4O2/c1-3-29(4-2)25(31)18-9-13-19(14-10-18)26-24-22-8-6-5-7-21(22)23(27-28-24)17-11-15-20(30)16-12-17/h5-16,30H,3-4H2,1-2H3,(H,26,28)
InChIKeyLNFOEYNVIQFIHP-UHFFFAOYSA-N
MW412.49 g/mol
LogP5.23
Rot. Bonds6

About N,N-diethyl-4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]benzamide

N,N-diethyl-4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]benzamide (PubChem CID 1389743) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is N,N-diethyl-4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]benzamide
PubChem CID1389743
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC NameN,N-diethyl-4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(Nc2nnc(-c3ccc(O)cc3)c3ccccc23)cc1
InChIInChI=1S/C25H24N4O2/c1-3-29(4-2)25(31)18-9-13-19(14-10-18)26-24-22-8-6-5-7-21(22)23(27-28-24)17-11-15-20(30)16-12-17/h5-16,30H,3-4H2,1-2H3,(H,26,28)
InChIKeyLNFOEYNVIQFIHP-UHFFFAOYSA-N
XLogP5.23
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-Diethyl-4-[4-(4-hydroxy-phenylamino)-phthalazin-1-yl]-benzamide
CID 1386453
N-(4-{[4-(4-hydroxyphenyl)phthalazin-1-yl]amino}phenyl)acetamide
CID 1419995
4-[4-(Phenylamino)phthalazin-1-yl]phenol
CID 1416233
4-({4-[4-(diethylcarbamoyl)phenyl]phthalazin-1-yl}amino)-N,N-dimethylbenzamide
CID 1387594
5-((4-(4-Hydroxyphenyl)phthalazin-1-yl)amino)-2-methoxybenzamide
CID 1384343
4-[4-(4-Hydroxy-phenyl)-phthalazin-1-ylamino]-N,N-dimethyl-benzamide
CID 1388925
N,N-Diethyl-4-[4-(3-hydroxy-phenylamino)-phthalazin-1-yl]-benzamide
CID 1389349
4-(4-methoxyphenyl)-N-[4-methoxy-3-(1-piperidinylcarbonyl)phenyl]-1-phthalazinamine
CID 6403605
N-(2-hydroxyethyl)-4-{4-[(4-hydroxyphenyl)amino]phthalazin-1-yl}benzamide
CID 1917022
5-{[4-(4-hydroxyphenyl)phthalazin-1-yl]amino}-2-methoxy-N-methylbenzamide
CID 1384560
N-(2-hydroxyethyl)-4-{4-[(4-methoxyphenyl)amino]phthalazin-1-yl}benzamide
CID 2888589
4-((4-(4-hydroxyphenyl)phthalazin-1-yl)amino)-N-phenylbenzamide
CID 1386351

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]benzamide?
The IUPAC name of N,N-diethyl-4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]benzamide (CID 1389743) is N,N-diethyl-4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]benzamide?
The canonical SMILES for N,N-diethyl-4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]benzamide is CCN(CC)C(=O)c1ccc(Nc2nnc(-c3ccc(O)cc3)c3ccccc23)cc1.
What is the InChIKey of N,N-diethyl-4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]benzamide?
The InChIKey is LNFOEYNVIQFIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-3-29(4-2)25(31)18-9-13-19(14-10-18)26-24-22-8-6-5-7-21(22)23(27-28-24)17-11-15-20(30)16-12-17/h5-16,30H,3-4H2,1-2H3,(H,26,28).
What are the key properties of N,N-diethyl-4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]benzamide?
N,N-diethyl-4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]benzamide has a molecular weight of 412.49 g/mol, XLogP of 5.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]benzamide is sourced from PubChem (CID 1389743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).