N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]-4-(3-methyl-4-oxophthalazin-1-yl)benzamide

C25H22N4O4 — CID 1290808

IUPACN-[4-[2-(methylamino)-2-oxoethoxy]phenyl]-4-(3-methyl-4-oxophthalazin-1-yl)benzamide
SMILESCNC(=O)COc1ccc(NC(=O)c2ccc(-c3nn(C)c(=O)c4ccccc34)cc2)cc1
InChIInChI=1S/C25H22N4O4/c1-26-22(30)15-33-19-13-11-18(12-14-19)27-24(31)17-9-7-16(8-10-17)23-20-5-3-4-6-21(20)25(32)29(2)28-23/h3-14H,15H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyLVZGPVZGQYGWFU-UHFFFAOYSA-N
MW442.48 g/mol
LogP2.98
Rot. Bonds6

About N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]-4-(3-methyl-4-oxophthalazin-1-yl)benzamide

N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]-4-(3-methyl-4-oxophthalazin-1-yl)benzamide (PubChem CID 1290808) has the molecular formula C25H22N4O4 and a molecular weight of 442.48 g/mol. Its IUPAC name is N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]-4-(3-methyl-4-oxophthalazin-1-yl)benzamide.

Molecular Properties

Compound NameN-[4-[2-(methylamino)-2-oxoethoxy]phenyl]-4-(3-methyl-4-oxophthalazin-1-yl)benzamide
PubChem CID1290808
Molecular FormulaC25H22N4O4
Molecular Weight442.48 g/mol
Exact Mass442.16
IUPAC NameN-[4-[2-(methylamino)-2-oxoethoxy]phenyl]-4-(3-methyl-4-oxophthalazin-1-yl)benzamide
SMILESCNC(=O)COc1ccc(NC(=O)c2ccc(-c3nn(C)c(=O)c4ccccc34)cc2)cc1
InChIInChI=1S/C25H22N4O4/c1-26-22(30)15-33-19-13-11-18(12-14-19)27-24(31)17-9-7-16(8-10-17)23-20-5-3-4-6-21(20)25(32)29(2)28-23/h3-14H,15H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyLVZGPVZGQYGWFU-UHFFFAOYSA-N
XLogP2.98
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]-4-(3-methyl-4-oxophthalazin-1-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methoxyphenyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide
CID 1087197
2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]-N-propan-2-ylacetamide
CID 2025937
2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1291720
4-chloro-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]benzamide
CID 112774949
4-(2-anilino-2-oxoethoxy)-N-phenylbenzamide
CID 10545541
N-(4-ethoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 7578327
4-tert-butyl-N-[4-[[[2-(4-phenylphenoxy)acetyl]amino]carbamoyl]phenyl]benzamide
CID 4513398
4-[[2-(4-methoxyphenoxy)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 2710766
2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-N-(4-methylphenyl)acetamide
CID 23854431
N-methyl-1-[4-(3-methyl-4-oxophthalazin-1-yl)phenyl]methanesulfonamide
CID 157040140
N-[[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]-4-methylbenzamide
CID 1298762
2-[4-(phenylcarbamoyl)phenoxy]acetic acid
CID 28762607

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]-4-(3-methyl-4-oxophthalazin-1-yl)benzamide?
The IUPAC name of N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]-4-(3-methyl-4-oxophthalazin-1-yl)benzamide (CID 1290808) is N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]-4-(3-methyl-4-oxophthalazin-1-yl)benzamide.
What is the SMILES notation for N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]-4-(3-methyl-4-oxophthalazin-1-yl)benzamide?
The canonical SMILES for N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]-4-(3-methyl-4-oxophthalazin-1-yl)benzamide is CNC(=O)COc1ccc(NC(=O)c2ccc(-c3nn(C)c(=O)c4ccccc34)cc2)cc1.
What is the InChIKey of N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]-4-(3-methyl-4-oxophthalazin-1-yl)benzamide?
The InChIKey is LVZGPVZGQYGWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O4/c1-26-22(30)15-33-19-13-11-18(12-14-19)27-24(31)17-9-7-16(8-10-17)23-20-5-3-4-6-21(20)25(32)29(2)28-23/h3-14H,15H2,1-2H3,(H,26,30)(H,27,31).
What are the key properties of N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]-4-(3-methyl-4-oxophthalazin-1-yl)benzamide?
N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]-4-(3-methyl-4-oxophthalazin-1-yl)benzamide has a molecular weight of 442.48 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]-4-(3-methyl-4-oxophthalazin-1-yl)benzamide is sourced from PubChem (CID 1290808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).