3-N-benzyl-2-cyclohexyl-4-methoxybenzene-1,3-dicarboxamide

C22H26N2O3 — CID 69091548

IUPAC3-N-benzyl-2-cyclohexyl-4-methoxybenzene-1,3-dicarboxamide
SMILESCOc1ccc(C(N)=O)c(C2CCCCC2)c1C(=O)NCc1ccccc1
InChIInChI=1S/C22H26N2O3/c1-27-18-13-12-17(21(23)25)19(16-10-6-3-7-11-16)20(18)22(26)24-14-15-8-4-2-5-9-15/h2,4-5,8-9,12-13,16H,3,6-7,10-11,14H2,1H3,(H2,23,25)(H,24,26)
InChIKeyKKAXKQTYKMERFV-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.77
Rot. Bonds6

About 3-N-benzyl-2-cyclohexyl-4-methoxybenzene-1,3-dicarboxamide

3-N-benzyl-2-cyclohexyl-4-methoxybenzene-1,3-dicarboxamide (PubChem CID 69091548) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 3-N-benzyl-2-cyclohexyl-4-methoxybenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-benzyl-2-cyclohexyl-4-methoxybenzene-1,3-dicarboxamide
PubChem CID69091548
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name3-N-benzyl-2-cyclohexyl-4-methoxybenzene-1,3-dicarboxamide
SMILESCOc1ccc(C(N)=O)c(C2CCCCC2)c1C(=O)NCc1ccccc1
InChIInChI=1S/C22H26N2O3/c1-27-18-13-12-17(21(23)25)19(16-10-6-3-7-11-16)20(18)22(26)24-14-15-8-4-2-5-9-15/h2,4-5,8-9,12-13,16H,3,6-7,10-11,14H2,1H3,(H2,23,25)(H,24,26)
InChIKeyKKAXKQTYKMERFV-UHFFFAOYSA-N
XLogP3.77
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-N-benzyl-2-cyclohexyl-4-methoxybenzene-1,3-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-2-cyclohexyl-4-methoxybenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-benzyl-2-cyclohexyl-4-methoxybenzene-1,3-dicarboxamide (CID 69091548) is 3-N-benzyl-2-cyclohexyl-4-methoxybenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-benzyl-2-cyclohexyl-4-methoxybenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-benzyl-2-cyclohexyl-4-methoxybenzene-1,3-dicarboxamide is COc1ccc(C(N)=O)c(C2CCCCC2)c1C(=O)NCc1ccccc1.
What is the InChIKey of 3-N-benzyl-2-cyclohexyl-4-methoxybenzene-1,3-dicarboxamide?
The InChIKey is KKAXKQTYKMERFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-27-18-13-12-17(21(23)25)19(16-10-6-3-7-11-16)20(18)22(26)24-14-15-8-4-2-5-9-15/h2,4-5,8-9,12-13,16H,3,6-7,10-11,14H2,1H3,(H2,23,25)(H,24,26).
What are the key properties of 3-N-benzyl-2-cyclohexyl-4-methoxybenzene-1,3-dicarboxamide?
3-N-benzyl-2-cyclohexyl-4-methoxybenzene-1,3-dicarboxamide has a molecular weight of 366.46 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-benzyl-2-cyclohexyl-4-methoxybenzene-1,3-dicarboxamide is sourced from PubChem (CID 69091548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).