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

C18H23N3O5 — CID 91780754

IUPACN-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCc1nn(CC(=O)N[C@@H]2CCOC[C@H]2OCCO)c(=O)c2ccccc12
InChIInChI=1S/C18H23N3O5/c1-12-13-4-2-3-5-14(13)18(24)21(20-12)10-17(23)19-15-6-8-25-11-16(15)26-9-7-22/h2-5,15-16,22H,6-11H2,1H3,(H,19,23)/t15-,16-/m1/s1
InChIKeyZTWFYQIDNOHMBY-HZPDHXFCSA-N
MW361.40 g/mol
LogP-0.01
Rot. Bonds6

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

N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (PubChem CID 91780754) has the molecular formula C18H23N3O5 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
PubChem CID91780754
Molecular FormulaC18H23N3O5
Molecular Weight361.40 g/mol
Exact Mass361.16
IUPAC NameN-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCc1nn(CC(=O)N[C@@H]2CCOC[C@H]2OCCO)c(=O)c2ccccc12
InChIInChI=1S/C18H23N3O5/c1-12-13-4-2-3-5-14(13)18(24)21(20-12)10-17(23)19-15-6-8-25-11-16(15)26-9-7-22/h2-5,15-16,22H,6-11H2,1H3,(H,19,23)/t15-,16-/m1/s1
InChIKeyZTWFYQIDNOHMBY-HZPDHXFCSA-N
XLogP-0.01
TPSA102.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (CID 91780754) is N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is Cc1nn(CC(=O)N[C@@H]2CCOC[C@H]2OCCO)c(=O)c2ccccc12.
What is the InChIKey of N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The InChIKey is ZTWFYQIDNOHMBY-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H23N3O5/c1-12-13-4-2-3-5-14(13)18(24)21(20-12)10-17(23)19-15-6-8-25-11-16(15)26-9-7-22/h2-5,15-16,22H,6-11H2,1H3,(H,19,23)/t15-,16-/m1/s1.
What are the key properties of N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide has a molecular weight of 361.40 g/mol, XLogP of -0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 91780754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).