N,N-diethyl-4-[[2-(1-oxo-4-phenylphthalazin-2-yl)acetyl]amino]benzamide

C27H26N4O3 — CID 1080064

IUPACN,N-diethyl-4-[[2-(1-oxo-4-phenylphthalazin-2-yl)acetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)Cn2nc(-c3ccccc3)c3ccccc3c2=O)cc1
InChIInChI=1S/C27H26N4O3/c1-3-30(4-2)26(33)20-14-16-21(17-15-20)28-24(32)18-31-27(34)23-13-9-8-12-22(23)25(29-31)19-10-6-5-7-11-19/h5-17H,3-4,18H2,1-2H3,(H,28,32)
InChIKeyXLGSEQCHIMYPJL-UHFFFAOYSA-N
MW454.53 g/mol
LogP4.18
Rot. Bonds7

About N,N-diethyl-4-[[2-(1-oxo-4-phenylphthalazin-2-yl)acetyl]amino]benzamide

N,N-diethyl-4-[[2-(1-oxo-4-phenylphthalazin-2-yl)acetyl]amino]benzamide (PubChem CID 1080064) has the molecular formula C27H26N4O3 and a molecular weight of 454.53 g/mol. Its IUPAC name is N,N-diethyl-4-[[2-(1-oxo-4-phenylphthalazin-2-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[2-(1-oxo-4-phenylphthalazin-2-yl)acetyl]amino]benzamide
PubChem CID1080064
Molecular FormulaC27H26N4O3
Molecular Weight454.53 g/mol
Exact Mass454.20
IUPAC NameN,N-diethyl-4-[[2-(1-oxo-4-phenylphthalazin-2-yl)acetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)Cn2nc(-c3ccccc3)c3ccccc3c2=O)cc1
InChIInChI=1S/C27H26N4O3/c1-3-30(4-2)26(33)20-14-16-21(17-15-20)28-24(32)18-31-27(34)23-13-9-8-12-22(23)25(29-31)19-10-6-5-7-11-19/h5-17H,3-4,18H2,1-2H3,(H,28,32)
InChIKeyXLGSEQCHIMYPJL-UHFFFAOYSA-N
XLogP4.18
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,N-diethyl-4-[[2-(1-oxo-4-phenylphthalazin-2-yl)acetyl]amino]benzamide with MolForge

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Related Compounds

2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-N-(4-methylphenyl)acetamide
CID 23854431
N-(3,4-dichlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
CID 1417632
N-ethyl-N-(2-methylprop-2-enyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide
CID 50976165
N-(4-acetylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 857342
N,N-diethyl-4-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]benzamide
CID 34544457
N-(4-ethylphenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)acetamide
CID 23608927
N-(3-chlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
CID 1385157
3-[2-(4-ethoxycarbonylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 2388769
2-(1-oxo-4-phenylphthalazin-2-yl)acetate
CID 4052053
N,N-diethyl-4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]benzamide
CID 24529289
3-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 16539285
N-(4-hydroxyphenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide
CID 177373845

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[2-(1-oxo-4-phenylphthalazin-2-yl)acetyl]amino]benzamide?
The IUPAC name of N,N-diethyl-4-[[2-(1-oxo-4-phenylphthalazin-2-yl)acetyl]amino]benzamide (CID 1080064) is N,N-diethyl-4-[[2-(1-oxo-4-phenylphthalazin-2-yl)acetyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-4-[[2-(1-oxo-4-phenylphthalazin-2-yl)acetyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-4-[[2-(1-oxo-4-phenylphthalazin-2-yl)acetyl]amino]benzamide is CCN(CC)C(=O)c1ccc(NC(=O)Cn2nc(-c3ccccc3)c3ccccc3c2=O)cc1.
What is the InChIKey of N,N-diethyl-4-[[2-(1-oxo-4-phenylphthalazin-2-yl)acetyl]amino]benzamide?
The InChIKey is XLGSEQCHIMYPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O3/c1-3-30(4-2)26(33)20-14-16-21(17-15-20)28-24(32)18-31-27(34)23-13-9-8-12-22(23)25(29-31)19-10-6-5-7-11-19/h5-17H,3-4,18H2,1-2H3,(H,28,32).
What are the key properties of N,N-diethyl-4-[[2-(1-oxo-4-phenylphthalazin-2-yl)acetyl]amino]benzamide?
N,N-diethyl-4-[[2-(1-oxo-4-phenylphthalazin-2-yl)acetyl]amino]benzamide has a molecular weight of 454.53 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[2-(1-oxo-4-phenylphthalazin-2-yl)acetyl]amino]benzamide is sourced from PubChem (CID 1080064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).