4-N-(2-ethoxyphenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide

C23H28N2O4 — CID 109151014

IUPAC4-N-(2-ethoxyphenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
SMILESCCOc1ccccc1NC(=O)C1CCC(C(=O)Nc2ccccc2OC)CC1
InChIInChI=1S/C23H28N2O4/c1-3-29-21-11-7-5-9-19(21)25-23(27)17-14-12-16(13-15-17)22(26)24-18-8-4-6-10-20(18)28-2/h4-11,16-17H,3,12-15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyOLBGJZCYPGAYQD-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.48
Rot. Bonds7

About 4-N-(2-ethoxyphenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide

4-N-(2-ethoxyphenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109151014) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 4-N-(2-ethoxyphenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-ethoxyphenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
PubChem CID109151014
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name4-N-(2-ethoxyphenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
SMILESCCOc1ccccc1NC(=O)C1CCC(C(=O)Nc2ccccc2OC)CC1
InChIInChI=1S/C23H28N2O4/c1-3-29-21-11-7-5-9-19(21)25-23(27)17-14-12-16(13-15-17)22(26)24-18-8-4-6-10-20(18)28-2/h4-11,16-17H,3,12-15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyOLBGJZCYPGAYQD-UHFFFAOYSA-N
XLogP4.48
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 109150938
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CID 24711526
4-(cyclopropanecarbonylamino)-N-(2-ethoxyphenyl)benzamide
CID 2995907
1-N-(2-methoxyphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144578
N-(2-methoxyphenyl)-1-(2-methylbutyl)piperidine-4-carboxamide
CID 154750133
N-(2-ethoxyphenyl)thiolane-3-carboxamide
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1-(2-amino-2-oxoethyl)-N-(2-ethoxyphenyl)piperidine-4-carboxamide
CID 16909193
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CID 109147660

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethoxyphenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(2-ethoxyphenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide (CID 109151014) is 4-N-(2-ethoxyphenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2-ethoxyphenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2-ethoxyphenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide is CCOc1ccccc1NC(=O)C1CCC(C(=O)Nc2ccccc2OC)CC1.
What is the InChIKey of 4-N-(2-ethoxyphenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is OLBGJZCYPGAYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-3-29-21-11-7-5-9-19(21)25-23(27)17-14-12-16(13-15-17)22(26)24-18-8-4-6-10-20(18)28-2/h4-11,16-17H,3,12-15H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 4-N-(2-ethoxyphenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide?
4-N-(2-ethoxyphenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 396.49 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethoxyphenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109151014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).