N-(3-acetamido-4-methoxyphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide

C19H18N4O4 — CID 24668281

IUPACN-(3-acetamido-4-methoxyphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESCOc1ccc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1NC(C)=O
InChIInChI=1S/C19H18N4O4/c1-11(24)20-16-9-12(7-8-17(16)27-2)21-18(25)10-15-13-5-3-4-6-14(13)19(26)23-22-15/h3-9H,10H2,1-2H3,(H,20,24)(H,21,25)(H,23,26)
InChIKeyWBXPQRUXDSZWEZ-UHFFFAOYSA-N
MW366.38 g/mol
LogP2.07
Rot. Bonds5

About N-(3-acetamido-4-methoxyphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide

N-(3-acetamido-4-methoxyphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide (PubChem CID 24668281) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is N-(3-acetamido-4-methoxyphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-acetamido-4-methoxyphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
PubChem CID24668281
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC NameN-(3-acetamido-4-methoxyphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESCOc1ccc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1NC(C)=O
InChIInChI=1S/C19H18N4O4/c1-11(24)20-16-9-12(7-8-17(16)27-2)21-18(25)10-15-13-5-3-4-6-14(13)19(26)23-22-15/h3-9H,10H2,1-2H3,(H,20,24)(H,21,25)(H,23,26)
InChIKeyWBXPQRUXDSZWEZ-UHFFFAOYSA-N
XLogP2.07
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7789862
N-(3-acetamido-4-methoxyphenyl)-2-(1,2-benzoxazol-3-yl)acetamide
CID 33310841
methyl 2-chloro-4-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]benzoate
CID 167776226
[2-(2-methoxyanilino)-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7251522
N-(4-cyanophenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 26703210
2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]-N-(3,4,5-trimethoxyphenyl)propanamide
CID 45370778
N-[2-methoxy-5-[(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)sulfonyl]phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 155520965
N-[2-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]acetamide
CID 122191897
N-naphthalen-1-yl-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17403437
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 46432138
N-(3-acetamido-4-methoxyphenyl)-2-(3-chlorophenyl)acetamide
CID 110778435
N-(3-acetamido-4-methoxyphenyl)-3-phenylpropanamide
CID 51651956

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-methoxyphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The IUPAC name of N-(3-acetamido-4-methoxyphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide (CID 24668281) is N-(3-acetamido-4-methoxyphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide.
What is the SMILES notation for N-(3-acetamido-4-methoxyphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The canonical SMILES for N-(3-acetamido-4-methoxyphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide is COc1ccc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1NC(C)=O.
What is the InChIKey of N-(3-acetamido-4-methoxyphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The InChIKey is WBXPQRUXDSZWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c1-11(24)20-16-9-12(7-8-17(16)27-2)21-18(25)10-15-13-5-3-4-6-14(13)19(26)23-22-15/h3-9H,10H2,1-2H3,(H,20,24)(H,21,25)(H,23,26).
What are the key properties of N-(3-acetamido-4-methoxyphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
N-(3-acetamido-4-methoxyphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide has a molecular weight of 366.38 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-methoxyphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide is sourced from PubChem (CID 24668281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).