N-cyclohexyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide

C22H23N3O2 — CID 1290998

IUPACN-cyclohexyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide
SMILESCn1nc(-c2ccc(C(=O)NC3CCCCC3)cc2)c2ccccc2c1=O
InChIInChI=1S/C22H23N3O2/c1-25-22(27)19-10-6-5-9-18(19)20(24-25)15-11-13-16(14-12-15)21(26)23-17-7-3-2-4-8-17/h5-6,9-14,17H,2-4,7-8H2,1H3,(H,23,26)
InChIKeyWCCJJZDAXPDVHP-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.66
Rot. Bonds3

About N-cyclohexyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide

N-cyclohexyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide (PubChem CID 1290998) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-cyclohexyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide
PubChem CID1290998
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-cyclohexyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide
SMILESCn1nc(-c2ccc(C(=O)NC3CCCCC3)cc2)c2ccccc2c1=O
InChIInChI=1S/C22H23N3O2/c1-25-22(27)19-10-6-5-9-18(19)20(24-25)15-11-13-16(14-12-15)21(26)23-17-7-3-2-4-8-17/h5-6,9-14,17H,2-4,7-8H2,1H3,(H,23,26)
InChIKeyWCCJJZDAXPDVHP-UHFFFAOYSA-N
XLogP3.66
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide?
The IUPAC name of N-cyclohexyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide (CID 1290998) is N-cyclohexyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide.
What is the SMILES notation for N-cyclohexyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide?
The canonical SMILES for N-cyclohexyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide is Cn1nc(-c2ccc(C(=O)NC3CCCCC3)cc2)c2ccccc2c1=O.
What is the InChIKey of N-cyclohexyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide?
The InChIKey is WCCJJZDAXPDVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-25-22(27)19-10-6-5-9-18(19)20(24-25)15-11-13-16(14-12-15)21(26)23-17-7-3-2-4-8-17/h5-6,9-14,17H,2-4,7-8H2,1H3,(H,23,26).
What are the key properties of N-cyclohexyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide?
N-cyclohexyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide has a molecular weight of 361.45 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide is sourced from PubChem (CID 1290998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).