2-(1-oxophthalazin-2-yl)-N,N-di(propan-2-yl)acetamide

C16H21N3O2 — CID 60602382

IUPAC2-(1-oxophthalazin-2-yl)-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)Cn1ncc2ccccc2c1=O)C(C)C
InChIInChI=1S/C16H21N3O2/c1-11(2)19(12(3)4)15(20)10-18-16(21)14-8-6-5-7-13(14)9-17-18/h5-9,11-12H,10H2,1-4H3
InChIKeyGHIIDUOFCGVUCI-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.04
Rot. Bonds4

About 2-(1-oxophthalazin-2-yl)-N,N-di(propan-2-yl)acetamide

2-(1-oxophthalazin-2-yl)-N,N-di(propan-2-yl)acetamide (PubChem CID 60602382) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(1-oxophthalazin-2-yl)-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-oxophthalazin-2-yl)-N,N-di(propan-2-yl)acetamide
PubChem CID60602382
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-(1-oxophthalazin-2-yl)-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)Cn1ncc2ccccc2c1=O)C(C)C
InChIInChI=1S/C16H21N3O2/c1-11(2)19(12(3)4)15(20)10-18-16(21)14-8-6-5-7-13(14)9-17-18/h5-9,11-12H,10H2,1-4H3
InChIKeyGHIIDUOFCGVUCI-UHFFFAOYSA-N
XLogP2.04
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-oxophthalazin-2-yl)-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-(1-oxophthalazin-2-yl)-N,N-di(propan-2-yl)acetamide (CID 60602382) is 2-(1-oxophthalazin-2-yl)-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-(1-oxophthalazin-2-yl)-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-(1-oxophthalazin-2-yl)-N,N-di(propan-2-yl)acetamide is CC(C)N(C(=O)Cn1ncc2ccccc2c1=O)C(C)C.
What is the InChIKey of 2-(1-oxophthalazin-2-yl)-N,N-di(propan-2-yl)acetamide?
The InChIKey is GHIIDUOFCGVUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11(2)19(12(3)4)15(20)10-18-16(21)14-8-6-5-7-13(14)9-17-18/h5-9,11-12H,10H2,1-4H3.
What are the key properties of 2-(1-oxophthalazin-2-yl)-N,N-di(propan-2-yl)acetamide?
2-(1-oxophthalazin-2-yl)-N,N-di(propan-2-yl)acetamide has a molecular weight of 287.36 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxophthalazin-2-yl)-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 60602382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).