N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

C27H28N4O2 — CID 24661105

IUPACN-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCN(C)Cc1ccc(-c2ccccc2CNC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1
InChIInChI=1S/C27H28N4O2/c1-30(2)18-19-12-14-20(15-13-19)22-9-5-4-8-21(22)17-28-26(32)16-25-23-10-6-7-11-24(23)27(33)31(3)29-25/h4-15H,16-18H2,1-3H3,(H,28,32)
InChIKeyWGOFOUZXOPEKIE-UHFFFAOYSA-N
MW440.55 g/mol
LogP3.52
Rot. Bonds7

About N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (PubChem CID 24661105) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
PubChem CID24661105
Molecular FormulaC27H28N4O2
Molecular Weight440.55 g/mol
Exact Mass440.22
IUPAC NameN-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCN(C)Cc1ccc(-c2ccccc2CNC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1
InChIInChI=1S/C27H28N4O2/c1-30(2)18-19-12-14-20(15-13-19)22-9-5-4-8-21(22)17-28-26(32)16-25-23-10-6-7-11-24(23)27(33)31(3)29-25/h4-15H,16-18H2,1-3H3,(H,28,32)
InChIKeyWGOFOUZXOPEKIE-UHFFFAOYSA-N
XLogP3.52
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 38262519
N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 55953291
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]pyridine-2-carboxamide
CID 47021287
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 55549362
2-cyclopent-2-en-1-yl-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]acetamide
CID 75691770
1-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-3-(3-pyrazol-1-ylpropyl)urea
CID 55747194
2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 55466633
2-(3-methyl-4-oxophthalazin-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 9301808
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 55549176
N-[2-(methylamino)propyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 120831381
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-methoxybenzamide
CID 24661049
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide
CID 24661080

Frequently Asked Questions

What is the IUPAC name of N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The IUPAC name of N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (CID 24661105) is N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.
What is the SMILES notation for N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The canonical SMILES for N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is CN(C)Cc1ccc(-c2ccccc2CNC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1.
What is the InChIKey of N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The InChIKey is WGOFOUZXOPEKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2/c1-30(2)18-19-12-14-20(15-13-19)22-9-5-4-8-21(22)17-28-26(32)16-25-23-10-6-7-11-24(23)27(33)31(3)29-25/h4-15H,16-18H2,1-3H3,(H,28,32).
What are the key properties of N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide has a molecular weight of 440.55 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is sourced from PubChem (CID 24661105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).