(2R)-N-(3-methoxyphenyl)-2-(1-oxophthalazin-2-yl)propanamide

C18H17N3O3 — CID 95118182

IUPAC(2R)-N-(3-methoxyphenyl)-2-(1-oxophthalazin-2-yl)propanamide
SMILESCOc1cccc(NC(=O)[C@@H](C)n2ncc3ccccc3c2=O)c1
InChIInChI=1S/C18H17N3O3/c1-12(17(22)20-14-7-5-8-15(10-14)24-2)21-18(23)16-9-4-3-6-13(16)11-19-21/h3-12H,1-2H3,(H,20,22)/t12-/m1/s1
InChIKeyCYIHEEGLBMZLSU-GFCCVEGCSA-N
MW323.35 g/mol
LogP2.60
Rot. Bonds4

About (2R)-N-(3-methoxyphenyl)-2-(1-oxophthalazin-2-yl)propanamide

(2R)-N-(3-methoxyphenyl)-2-(1-oxophthalazin-2-yl)propanamide (PubChem CID 95118182) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is (2R)-N-(3-methoxyphenyl)-2-(1-oxophthalazin-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(3-methoxyphenyl)-2-(1-oxophthalazin-2-yl)propanamide
PubChem CID95118182
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name(2R)-N-(3-methoxyphenyl)-2-(1-oxophthalazin-2-yl)propanamide
SMILESCOc1cccc(NC(=O)[C@@H](C)n2ncc3ccccc3c2=O)c1
InChIInChI=1S/C18H17N3O3/c1-12(17(22)20-14-7-5-8-15(10-14)24-2)21-18(23)16-9-4-3-6-13(16)11-19-21/h3-12H,1-2H3,(H,20,22)/t12-/m1/s1
InChIKeyCYIHEEGLBMZLSU-GFCCVEGCSA-N
XLogP2.60
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(3-chloro-4-methoxyphenyl)-2-(1-oxophthalazin-2-yl)propanamide
CID 95119018
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CID 2918932
(2S)-N-(3-methoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 28623082
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(3-methoxyphenyl)propanamide
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(2R)-N-(7-methoxyquinolin-3-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 97266945
(2S)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-naphthalen-1-ylpropanamide
CID 92902778
(2S)-N-(3-fluorophenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]propanamide
CID 95062251
N-(3-methoxyphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide
CID 5075295
3-[1-(4-methoxyanilino)-1-oxopropan-2-yl]-4-oxophthalazine-1-carboxylic acid
CID 16611108
2-hydroxy-N-(3-methoxyphenyl)propanamide
CID 82125804
[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] naphthalene-1-carboxylate
CID 8707182
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-methoxyphenyl)propanamide
CID 121075999

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-methoxyphenyl)-2-(1-oxophthalazin-2-yl)propanamide?
The IUPAC name of (2R)-N-(3-methoxyphenyl)-2-(1-oxophthalazin-2-yl)propanamide (CID 95118182) is (2R)-N-(3-methoxyphenyl)-2-(1-oxophthalazin-2-yl)propanamide.
What is the SMILES notation for (2R)-N-(3-methoxyphenyl)-2-(1-oxophthalazin-2-yl)propanamide?
The canonical SMILES for (2R)-N-(3-methoxyphenyl)-2-(1-oxophthalazin-2-yl)propanamide is COc1cccc(NC(=O)[C@@H](C)n2ncc3ccccc3c2=O)c1.
What is the InChIKey of (2R)-N-(3-methoxyphenyl)-2-(1-oxophthalazin-2-yl)propanamide?
The InChIKey is CYIHEEGLBMZLSU-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-12(17(22)20-14-7-5-8-15(10-14)24-2)21-18(23)16-9-4-3-6-13(16)11-19-21/h3-12H,1-2H3,(H,20,22)/t12-/m1/s1.
What are the key properties of (2R)-N-(3-methoxyphenyl)-2-(1-oxophthalazin-2-yl)propanamide?
(2R)-N-(3-methoxyphenyl)-2-(1-oxophthalazin-2-yl)propanamide has a molecular weight of 323.35 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-methoxyphenyl)-2-(1-oxophthalazin-2-yl)propanamide is sourced from PubChem (CID 95118182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).