N-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide

C18H23N3O4 — CID 91787158

IUPACN-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCCO[C@@H]1COCC[C@H]1NC(=O)Cn1nc(C)c2ccccc2c1=O
InChIInChI=1S/C18H23N3O4/c1-3-25-16-11-24-9-8-15(16)19-17(22)10-21-18(23)14-7-5-4-6-13(14)12(2)20-21/h4-7,15-16H,3,8-11H2,1-2H3,(H,19,22)/t15-,16-/m1/s1
InChIKeyFXTHNMWIPZXBLC-HZPDHXFCSA-N
MW345.40 g/mol
LogP1.02
Rot. Bonds5

About N-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide

N-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (PubChem CID 91787158) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
PubChem CID91787158
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC NameN-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCCO[C@@H]1COCC[C@H]1NC(=O)Cn1nc(C)c2ccccc2c1=O
InChIInChI=1S/C18H23N3O4/c1-3-25-16-11-24-9-8-15(16)19-17(22)10-21-18(23)14-7-5-4-6-13(14)12(2)20-21/h4-7,15-16H,3,8-11H2,1-2H3,(H,19,22)/t15-,16-/m1/s1
InChIKeyFXTHNMWIPZXBLC-HZPDHXFCSA-N
XLogP1.02
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (CID 91787158) is N-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is CCO[C@@H]1COCC[C@H]1NC(=O)Cn1nc(C)c2ccccc2c1=O.
What is the InChIKey of N-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The InChIKey is FXTHNMWIPZXBLC-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-3-25-16-11-24-9-8-15(16)19-17(22)10-21-18(23)14-7-5-4-6-13(14)12(2)20-21/h4-7,15-16H,3,8-11H2,1-2H3,(H,19,22)/t15-,16-/m1/s1.
What are the key properties of N-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
N-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide has a molecular weight of 345.40 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 91787158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).