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

C23H25N3O2 — CID 3155243

IUPACN-cyclohexyl-N-methyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide
SMILESCN(C(=O)c1ccc(-c2nn(C)c(=O)c3ccccc23)cc1)C1CCCCC1
InChIInChI=1S/C23H25N3O2/c1-25(18-8-4-3-5-9-18)22(27)17-14-12-16(13-15-17)21-19-10-6-7-11-20(19)23(28)26(2)24-21/h6-7,10-15,18H,3-5,8-9H2,1-2H3
InChIKeyYLDPNCZJFDCMGN-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.01
Rot. Bonds3

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

N-cyclohexyl-N-methyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide (PubChem CID 3155243) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide
PubChem CID3155243
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-cyclohexyl-N-methyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide
SMILESCN(C(=O)c1ccc(-c2nn(C)c(=O)c3ccccc23)cc1)C1CCCCC1
InChIInChI=1S/C23H25N3O2/c1-25(18-8-4-3-5-9-18)22(27)17-14-12-16(13-15-17)21-19-10-6-7-11-20(19)23(28)26(2)24-21/h6-7,10-15,18H,3-5,8-9H2,1-2H3
InChIKeyYLDPNCZJFDCMGN-UHFFFAOYSA-N
XLogP4.01
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide?
The IUPAC name of N-cyclohexyl-N-methyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide (CID 3155243) is N-cyclohexyl-N-methyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide?
The canonical SMILES for N-cyclohexyl-N-methyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide is CN(C(=O)c1ccc(-c2nn(C)c(=O)c3ccccc23)cc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide?
The InChIKey is YLDPNCZJFDCMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-25(18-8-4-3-5-9-18)22(27)17-14-12-16(13-15-17)21-19-10-6-7-11-20(19)23(28)26(2)24-21/h6-7,10-15,18H,3-5,8-9H2,1-2H3.
What are the key properties of N-cyclohexyl-N-methyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide?
N-cyclohexyl-N-methyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide has a molecular weight of 375.47 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-4-(3-methyl-4-oxophthalazin-1-yl)benzamide is sourced from PubChem (CID 3155243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).