N-[2-(3-acetamidoanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide

C26H23N5O5 — CID 5155217

IUPACN-[2-(3-acetamidoanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)NCC(=O)Nc3cccc(NC(C)=O)c3)c3ccccc3c2=O)cc1
InChIInChI=1S/C26H23N5O5/c1-16(32)28-17-6-5-7-18(14-17)29-23(33)15-27-25(34)24-21-8-3-4-9-22(21)26(35)31(30-24)19-10-12-20(36-2)13-11-19/h3-14H,15H2,1-2H3,(H,27,34)(H,28,32)(H,29,33)
InChIKeyCIFGYLLGWCYIFY-UHFFFAOYSA-N
MW485.50 g/mol
LogP2.72
Rot. Bonds7

About N-[2-(3-acetamidoanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide

N-[2-(3-acetamidoanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide (PubChem CID 5155217) has the molecular formula C26H23N5O5 and a molecular weight of 485.50 g/mol. Its IUPAC name is N-[2-(3-acetamidoanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-acetamidoanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide
PubChem CID5155217
Molecular FormulaC26H23N5O5
Molecular Weight485.50 g/mol
Exact Mass485.17
IUPAC NameN-[2-(3-acetamidoanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)NCC(=O)Nc3cccc(NC(C)=O)c3)c3ccccc3c2=O)cc1
InChIInChI=1S/C26H23N5O5/c1-16(32)28-17-6-5-7-18(14-17)29-23(33)15-27-25(34)24-21-8-3-4-9-22(21)26(35)31(30-24)19-10-12-20(36-2)13-11-19/h3-14H,15H2,1-2H3,(H,27,34)(H,28,32)(H,29,33)
InChIKeyCIFGYLLGWCYIFY-UHFFFAOYSA-N
XLogP2.72
TPSA131.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.50
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methoxyphenyl)-2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
CID 758936
Antifungal agent 35
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4-[(4-methoxyanilino)methyl]-1(2H)-phthalazinone
CID 1482305
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 9419018
N-(4-methoxyphenyl)-4-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzamide
CID 1087197
2-Methoxy-5-({[4-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)phenyl]carbonyl}amino)benzamide
CID 1292688
2-methoxy-N-methyl-5-{[3-(1-oxo-4-phenylphthalazin-2(1H)-yl)propanoyl]amino}benzamide
CID 1887616
N-[3-[1-[3-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 57399487
4-((4-(Trifluoromethoxy)anilino)methyl)-1(2H)-phthalazinone
CID 1485947
N-[2-methoxy-5-(3-methyl-4-oxo-3,4-dihydro-1-phthalazinyl)phenyl]-2-(4-methyl-1-oxo-2(1H)-phthalazinyl)acetamide
CID 1314910
N-(2-methoxy-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)phenyl)-2-(1-oxo-4-phenylphthalazin-2(1H)-yl)acetamide
CID 1863987
3-(4-(4-chlorophenyl)-1-oxophthalazin-2(1H)-yl)-N-(4-methoxyphenyl)propanamide
CID 1887235

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-acetamidoanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-[2-(3-acetamidoanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide (CID 5155217) is N-[2-(3-acetamidoanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-[2-(3-acetamidoanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-[2-(3-acetamidoanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide is COc1ccc(-n2nc(C(=O)NCC(=O)Nc3cccc(NC(C)=O)c3)c3ccccc3c2=O)cc1.
What is the InChIKey of N-[2-(3-acetamidoanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide?
The InChIKey is CIFGYLLGWCYIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O5/c1-16(32)28-17-6-5-7-18(14-17)29-23(33)15-27-25(34)24-21-8-3-4-9-22(21)26(35)31(30-24)19-10-12-20(36-2)13-11-19/h3-14H,15H2,1-2H3,(H,27,34)(H,28,32)(H,29,33).
What are the key properties of N-[2-(3-acetamidoanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide?
N-[2-(3-acetamidoanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide has a molecular weight of 485.50 g/mol, XLogP of 2.72, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-acetamidoanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 5155217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).