N-(2,5-dimethylphenyl)-N-(oxan-4-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide

C23H25N3O3 — CID 166250443

IUPACN-(2,5-dimethylphenyl)-N-(oxan-4-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESCc1ccc(C)c(N(C(=O)Cc2n[nH]c(=O)c3ccccc23)C2CCOCC2)c1
InChIInChI=1S/C23H25N3O3/c1-15-7-8-16(2)21(13-15)26(17-9-11-29-12-10-17)22(27)14-20-18-5-3-4-6-19(18)23(28)25-24-20/h3-8,13,17H,9-12,14H2,1-2H3,(H,25,28)
InChIKeyMVDYMPVZZDQQLU-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.29
Rot. Bonds4

About N-(2,5-dimethylphenyl)-N-(oxan-4-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide

N-(2,5-dimethylphenyl)-N-(oxan-4-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide (PubChem CID 166250443) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-N-(oxan-4-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-N-(oxan-4-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
PubChem CID166250443
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-(2,5-dimethylphenyl)-N-(oxan-4-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESCc1ccc(C)c(N(C(=O)Cc2n[nH]c(=O)c3ccccc23)C2CCOCC2)c1
InChIInChI=1S/C23H25N3O3/c1-15-7-8-16(2)21(13-15)26(17-9-11-29-12-10-17)22(27)14-20-18-5-3-4-6-19(18)23(28)25-24-20/h3-8,13,17H,9-12,14H2,1-2H3,(H,25,28)
InChIKeyMVDYMPVZZDQQLU-UHFFFAOYSA-N
XLogP3.29
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylphenyl)-3-ethenylsulfonyl-N-(oxan-4-yl)propanamide
CID 167905956
N-cyclopropyl-2-(4-oxo-3H-phthalazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 17452042
N-methoxy-N-[(3-methylcyclohexyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 166214999
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7251540
N-(1-cyclopropylethyl)-2-(4-oxo-3H-phthalazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 18775243
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 4782858
N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 110245433
N-(5-methyl-2-pyridinyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 18106765
N-[(4R)-2,2-dimethyloxan-4-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 52902429
2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide
CID 17394362
(2R)-2-(2,5-dimethylphenoxy)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide
CID 95045989
N-(dicyclopropylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 36573611

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-N-(oxan-4-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-N-(oxan-4-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide (CID 166250443) is N-(2,5-dimethylphenyl)-N-(oxan-4-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-N-(oxan-4-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-N-(oxan-4-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide is Cc1ccc(C)c(N(C(=O)Cc2n[nH]c(=O)c3ccccc23)C2CCOCC2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-N-(oxan-4-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The InChIKey is MVDYMPVZZDQQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-15-7-8-16(2)21(13-15)26(17-9-11-29-12-10-17)22(27)14-20-18-5-3-4-6-19(18)23(28)25-24-20/h3-8,13,17H,9-12,14H2,1-2H3,(H,25,28).
What are the key properties of N-(2,5-dimethylphenyl)-N-(oxan-4-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
N-(2,5-dimethylphenyl)-N-(oxan-4-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide has a molecular weight of 391.47 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-N-(oxan-4-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide is sourced from PubChem (CID 166250443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).