1-N-(1,3-benzodioxol-5-yl)-4-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide

C22H24N2O5 — CID 109151021

IUPAC1-N-(1,3-benzodioxol-5-yl)-4-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
SMILESCOc1ccccc1NC(=O)C1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C22H24N2O5/c1-27-18-5-3-2-4-17(18)24-22(26)15-8-6-14(7-9-15)21(25)23-16-10-11-19-20(12-16)29-13-28-19/h2-5,10-12,14-15H,6-9,13H2,1H3,(H,23,25)(H,24,26)
InChIKeyIZJGWBVXNJHACE-UHFFFAOYSA-N
MW396.44 g/mol
LogP3.81
Rot. Bonds5

About 1-N-(1,3-benzodioxol-5-yl)-4-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide

1-N-(1,3-benzodioxol-5-yl)-4-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109151021) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is 1-N-(1,3-benzodioxol-5-yl)-4-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(1,3-benzodioxol-5-yl)-4-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
PubChem CID109151021
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Name1-N-(1,3-benzodioxol-5-yl)-4-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
SMILESCOc1ccccc1NC(=O)C1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C22H24N2O5/c1-27-18-5-3-2-4-17(18)24-22(26)15-8-6-14(7-9-15)21(25)23-16-10-11-19-20(12-16)29-13-28-19/h2-5,10-12,14-15H,6-9,13H2,1H3,(H,23,25)(H,24,26)
InChIKeyIZJGWBVXNJHACE-UHFFFAOYSA-N
XLogP3.81
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(1,3-benzodioxol-5-yl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 646276
1-N-(1,3-benzodioxol-5-yl)-4-N-(2-cyanophenyl)cyclohexane-1,4-dicarboxamide
CID 109151131
2-N-(1,3-benzodioxol-5-yl)-6-N-(2-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100925
1-N-(1,3-benzodioxol-5-yl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150450
2-N-(1,3-benzodioxol-5-yl)-1-N-(2-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143609
(3R)-N-(1,3-benzodioxol-5-yl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2572856
N-[4-(2-methoxyanilino)phenyl]cyclopropanecarboxamide
CID 112987323
4-N-(2-chlorophenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109150938
N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarboxamide
CID 730787
1-acetyl-N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 8850769
1-(1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)urea
CID 17378932
1-N-(2-methoxyphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144578

Frequently Asked Questions

What is the IUPAC name of 1-N-(1,3-benzodioxol-5-yl)-4-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-(1,3-benzodioxol-5-yl)-4-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide (CID 109151021) is 1-N-(1,3-benzodioxol-5-yl)-4-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(1,3-benzodioxol-5-yl)-4-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-(1,3-benzodioxol-5-yl)-4-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide is COc1ccccc1NC(=O)C1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1.
What is the InChIKey of 1-N-(1,3-benzodioxol-5-yl)-4-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is IZJGWBVXNJHACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-27-18-5-3-2-4-17(18)24-22(26)15-8-6-14(7-9-15)21(25)23-16-10-11-19-20(12-16)29-13-28-19/h2-5,10-12,14-15H,6-9,13H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 1-N-(1,3-benzodioxol-5-yl)-4-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide?
1-N-(1,3-benzodioxol-5-yl)-4-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 396.44 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1,3-benzodioxol-5-yl)-4-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109151021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).