N-(2-ethyl-6-methylphenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide

C23H26N4O3 — CID 53137072

IUPACN-(2-ethyl-6-methylphenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide
SMILESCCc1cccc(C)c1NC(=O)Cn1nc(N2CCOCC2)c2ccccc2c1=O
InChIInChI=1S/C23H26N4O3/c1-3-17-8-6-7-16(2)21(17)24-20(28)15-27-23(29)19-10-5-4-9-18(19)22(25-27)26-11-13-30-14-12-26/h4-10H,3,11-15H2,1-2H3,(H,24,28)
InChIKeySLUHPTLJXMQKRU-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.74
Rot. Bonds5

About N-(2-ethyl-6-methylphenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide

N-(2-ethyl-6-methylphenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide (PubChem CID 53137072) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide
PubChem CID53137072
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide
SMILESCCc1cccc(C)c1NC(=O)Cn1nc(N2CCOCC2)c2ccccc2c1=O
InChIInChI=1S/C23H26N4O3/c1-3-17-8-6-7-16(2)21(17)24-20(28)15-27-23(29)19-10-5-4-9-18(19)22(25-27)26-11-13-30-14-12-26/h4-10H,3,11-15H2,1-2H3,(H,24,28)
InChIKeySLUHPTLJXMQKRU-UHFFFAOYSA-N
XLogP2.74
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,6-dimethylphenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide
CID 53137060
N-(4-bromophenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide
CID 53137056
N-(3,5-dimethylphenyl)-2-(1-oxo-4-pyrrolidin-1-ylphthalazin-2-yl)acetamide
CID 46396846
2-(3-methylphenyl)-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide
CID 70976210
N-(2-ethyl-6-methylphenyl)-4-oxo-3-propylphthalazine-1-carboxamide
CID 5036813
N-(4-chlorophenyl)-2-(1-oxo-4-piperidin-1-ylphthalazin-2-yl)acetamide
CID 22425705
N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)-2-phenylacetamide
CID 70976253
N-(3,5-dimethoxyphenyl)-2-(1-oxo-4-pyrrolidin-1-ylphthalazin-2-yl)acetamide
CID 53137015
N-[4-(diethylamino)-2-methylphenyl]-2-[4-(4-methylpiperidin-1-yl)-1-oxophthalazin-2-yl]acetamide
CID 46396902
N-(2-ethyl-6-methylphenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324269
2-(2,3-dimethoxyphenyl)-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide
CID 70976193
N-(3-methoxyphenyl)-2-(1-oxo-4-thiomorpholin-4-ylphthalazin-2-yl)acetamide
CID 53137095

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide (CID 53137072) is N-(2-ethyl-6-methylphenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide is CCc1cccc(C)c1NC(=O)Cn1nc(N2CCOCC2)c2ccccc2c1=O.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide?
The InChIKey is SLUHPTLJXMQKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-3-17-8-6-7-16(2)21(17)24-20(28)15-27-23(29)19-10-5-4-9-18(19)22(25-27)26-11-13-30-14-12-26/h4-10H,3,11-15H2,1-2H3,(H,24,28).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide?
N-(2-ethyl-6-methylphenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide has a molecular weight of 406.49 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 53137072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).