N-cycloheptyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

C18H23N3O2 — CID 4248069

IUPACN-cycloheptyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCn1nc(CC(=O)NC2CCCCCC2)c2ccccc2c1=O
InChIInChI=1S/C18H23N3O2/c1-21-18(23)15-11-7-6-10-14(15)16(20-21)12-17(22)19-13-8-4-2-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,19,22)
InChIKeyLPZMAXDOLFVYSP-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.32
Rot. Bonds3

About N-cycloheptyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

N-cycloheptyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (PubChem CID 4248069) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-cycloheptyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
PubChem CID4248069
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-cycloheptyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCn1nc(CC(=O)NC2CCCCCC2)c2ccccc2c1=O
InChIInChI=1S/C18H23N3O2/c1-21-18(23)15-11-7-6-10-14(15)16(20-21)12-17(22)19-13-8-4-2-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,19,22)
InChIKeyLPZMAXDOLFVYSP-UHFFFAOYSA-N
XLogP2.32
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The IUPAC name of N-cycloheptyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (CID 4248069) is N-cycloheptyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.
What is the SMILES notation for N-cycloheptyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The canonical SMILES for N-cycloheptyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is Cn1nc(CC(=O)NC2CCCCCC2)c2ccccc2c1=O.
What is the InChIKey of N-cycloheptyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The InChIKey is LPZMAXDOLFVYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-21-18(23)15-11-7-6-10-14(15)16(20-21)12-17(22)19-13-8-4-2-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,19,22).
What are the key properties of N-cycloheptyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
N-cycloheptyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide has a molecular weight of 313.40 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is sourced from PubChem (CID 4248069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).