N-[(4R)-2,2-dimethyloxan-4-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide

C17H21N3O3 — CID 52902429

IUPACN-[(4R)-2,2-dimethyloxan-4-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESCC1(C)C[C@H](NC(=O)Cc2n[nH]c(=O)c3ccccc23)CCO1
InChIInChI=1S/C17H21N3O3/c1-17(2)10-11(7-8-23-17)18-15(21)9-14-12-5-3-4-6-13(12)16(22)20-19-14/h3-6,11H,7-10H2,1-2H3,(H,18,21)(H,20,22)/t11-/m1/s1
InChIKeyKQWBUFXMSKGKFQ-LLVKDONJSA-N
MW315.37 g/mol
LogP1.54
Rot. Bonds3

About N-[(4R)-2,2-dimethyloxan-4-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide

N-[(4R)-2,2-dimethyloxan-4-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide (PubChem CID 52902429) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[(4R)-2,2-dimethyloxan-4-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(4R)-2,2-dimethyloxan-4-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
PubChem CID52902429
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[(4R)-2,2-dimethyloxan-4-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESCC1(C)C[C@H](NC(=O)Cc2n[nH]c(=O)c3ccccc23)CCO1
InChIInChI=1S/C17H21N3O3/c1-17(2)10-11(7-8-23-17)18-15(21)9-14-12-5-3-4-6-13(12)16(22)20-19-14/h3-6,11H,7-10H2,1-2H3,(H,18,21)(H,20,22)/t11-/m1/s1
InChIKeyKQWBUFXMSKGKFQ-LLVKDONJSA-N
XLogP1.54
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4R)-2,2-dimethyloxan-4-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The IUPAC name of N-[(4R)-2,2-dimethyloxan-4-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide (CID 52902429) is N-[(4R)-2,2-dimethyloxan-4-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide.
What is the SMILES notation for N-[(4R)-2,2-dimethyloxan-4-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The canonical SMILES for N-[(4R)-2,2-dimethyloxan-4-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide is CC1(C)C[C@H](NC(=O)Cc2n[nH]c(=O)c3ccccc23)CCO1.
What is the InChIKey of N-[(4R)-2,2-dimethyloxan-4-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The InChIKey is KQWBUFXMSKGKFQ-LLVKDONJSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-17(2)10-11(7-8-23-17)18-15(21)9-14-12-5-3-4-6-13(12)16(22)20-19-14/h3-6,11H,7-10H2,1-2H3,(H,18,21)(H,20,22)/t11-/m1/s1.
What are the key properties of N-[(4R)-2,2-dimethyloxan-4-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
N-[(4R)-2,2-dimethyloxan-4-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide has a molecular weight of 315.37 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-2,2-dimethyloxan-4-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide is sourced from PubChem (CID 52902429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).