N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide

C23H28N4O2 — CID 55523826

IUPACN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCCc1ccc(C(CNC(=O)Cn2nc(C)c3ccccc3c2=O)N(C)C)cc1
InChIInChI=1S/C23H28N4O2/c1-5-17-10-12-18(13-11-17)21(26(3)4)14-24-22(28)15-27-23(29)20-9-7-6-8-19(20)16(2)25-27/h6-13,21H,5,14-15H2,1-4H3,(H,24,28)
InChIKeyPYXMTBJWSZRONN-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.69
Rot. Bonds7

About N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide

N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (PubChem CID 55523826) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
PubChem CID55523826
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCCc1ccc(C(CNC(=O)Cn2nc(C)c3ccccc3c2=O)N(C)C)cc1
InChIInChI=1S/C23H28N4O2/c1-5-17-10-12-18(13-11-17)21(26(3)4)14-24-22(28)15-27-23(29)20-9-7-6-8-19(20)16(2)25-27/h6-13,21H,5,14-15H2,1-4H3,(H,24,28)
InChIKeyPYXMTBJWSZRONN-UHFFFAOYSA-N
XLogP2.69
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 8796334
N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 8796434
N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 8796440
N-(2-cyclopentyl-2-hydroxyethyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 111426350
2-(4-methyl-1-oxophthalazin-2-yl)-N-[(3-methylphenyl)methyl]acetamide
CID 38295923
N-hexyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 29445219
N-[2-(4-fluorophenyl)ethyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 36511322
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 29416489
2-(4-methyl-1-oxophthalazin-2-yl)-N-(pyridin-2-ylmethyl)acetamide;hydrochloride
CID 90485291
4-methyl-2-(2-oxopropyl)phthalazin-1-one
CID 58973560
2-(4-methyl-1-oxophthalazin-2-yl)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide
CID 39509155
2-(4-methyl-1-oxophthalazin-2-yl)-N',N'-diphenylacetohydrazide
CID 55390619

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (CID 55523826) is N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is CCc1ccc(C(CNC(=O)Cn2nc(C)c3ccccc3c2=O)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The InChIKey is PYXMTBJWSZRONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-5-17-10-12-18(13-11-17)21(26(3)4)14-24-22(28)15-27-23(29)20-9-7-6-8-19(20)16(2)25-27/h6-13,21H,5,14-15H2,1-4H3,(H,24,28).
What are the key properties of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide has a molecular weight of 392.50 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 55523826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).