N-cyclohexyl-3-(4-ethoxyphenyl)-N-methyl-4-oxophthalazine-1-carboxamide

C24H27N3O3 — CID 3443202

IUPACN-cyclohexyl-3-(4-ethoxyphenyl)-N-methyl-4-oxophthalazine-1-carboxamide
SMILESCCOc1ccc(-n2nc(C(=O)N(C)C3CCCCC3)c3ccccc3c2=O)cc1
InChIInChI=1S/C24H27N3O3/c1-3-30-19-15-13-18(14-16-19)27-23(28)21-12-8-7-11-20(21)22(25-27)24(29)26(2)17-9-5-4-6-10-17/h7-8,11-17H,3-6,9-10H2,1-2H3
InChIKeyRFKLYUVNDHYLGS-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.19
Rot. Bonds5

About N-cyclohexyl-3-(4-ethoxyphenyl)-N-methyl-4-oxophthalazine-1-carboxamide

N-cyclohexyl-3-(4-ethoxyphenyl)-N-methyl-4-oxophthalazine-1-carboxamide (PubChem CID 3443202) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-cyclohexyl-3-(4-ethoxyphenyl)-N-methyl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(4-ethoxyphenyl)-N-methyl-4-oxophthalazine-1-carboxamide
PubChem CID3443202
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-cyclohexyl-3-(4-ethoxyphenyl)-N-methyl-4-oxophthalazine-1-carboxamide
SMILESCCOc1ccc(-n2nc(C(=O)N(C)C3CCCCC3)c3ccccc3c2=O)cc1
InChIInChI=1S/C24H27N3O3/c1-3-30-19-15-13-18(14-16-19)27-23(28)21-12-8-7-11-20(21)22(25-27)24(29)26(2)17-9-5-4-6-10-17/h7-8,11-17H,3-6,9-10H2,1-2H3
InChIKeyRFKLYUVNDHYLGS-UHFFFAOYSA-N
XLogP4.19
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(4-ethoxyphenyl)-N-methyl-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-3-(4-ethoxyphenyl)-N-methyl-4-oxophthalazine-1-carboxamide (CID 3443202) is N-cyclohexyl-3-(4-ethoxyphenyl)-N-methyl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-(4-ethoxyphenyl)-N-methyl-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-3-(4-ethoxyphenyl)-N-methyl-4-oxophthalazine-1-carboxamide is CCOc1ccc(-n2nc(C(=O)N(C)C3CCCCC3)c3ccccc3c2=O)cc1.
What is the InChIKey of N-cyclohexyl-3-(4-ethoxyphenyl)-N-methyl-4-oxophthalazine-1-carboxamide?
The InChIKey is RFKLYUVNDHYLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-3-30-19-15-13-18(14-16-19)27-23(28)21-12-8-7-11-20(21)22(25-27)24(29)26(2)17-9-5-4-6-10-17/h7-8,11-17H,3-6,9-10H2,1-2H3.
What are the key properties of N-cyclohexyl-3-(4-ethoxyphenyl)-N-methyl-4-oxophthalazine-1-carboxamide?
N-cyclohexyl-3-(4-ethoxyphenyl)-N-methyl-4-oxophthalazine-1-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(4-ethoxyphenyl)-N-methyl-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 3443202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).