4-N-(4-ethoxyphenyl)-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide

C21H32N2O3 — CID 109149768

IUPAC4-N-(4-ethoxyphenyl)-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide
SMILESCCOc1ccc(NC(=O)C2CCC(C(=O)NCCC(C)C)CC2)cc1
InChIInChI=1S/C21H32N2O3/c1-4-26-19-11-9-18(10-12-19)23-21(25)17-7-5-16(6-8-17)20(24)22-14-13-15(2)3/h9-12,15-17H,4-8,13-14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyOQVIWVTXVWMUOH-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.99
Rot. Bonds8

About 4-N-(4-ethoxyphenyl)-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide

4-N-(4-ethoxyphenyl)-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109149768) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is 4-N-(4-ethoxyphenyl)-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-ethoxyphenyl)-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide
PubChem CID109149768
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Name4-N-(4-ethoxyphenyl)-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide
SMILESCCOc1ccc(NC(=O)C2CCC(C(=O)NCCC(C)C)CC2)cc1
InChIInChI=1S/C21H32N2O3/c1-4-26-19-11-9-18(10-12-19)23-21(25)17-7-5-16(6-8-17)20(24)22-14-13-15(2)3/h9-12,15-17H,4-8,13-14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyOQVIWVTXVWMUOH-UHFFFAOYSA-N
XLogP3.99
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-ethoxyphenoxy)phenyl]cyclopropanecarboxamide
CID 2446885
1-N-[3-(dimethylamino)propyl]-4-N-(4-ethoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109147324
1-N-cyclopropyl-4-N-(4-ethoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109144778
4-N-(4-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144385
4-N-(4-phenylmethoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144415
4-N-(4-ethoxyphenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148110
(3R)-N-(4-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 1092696
2-(4-ethoxyanilino)-N-(3-methylbutyl)acetamide
CID 39364243
1-N-(4-methoxyphenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide
CID 109139937
4-N-(3-methylbutyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144333
1-N-(4-ethoxyphenyl)-4-N-methyl-4-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150541
1-[(4-ethoxyphenyl)carbamothioyl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 43076775

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-ethoxyphenyl)-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(4-ethoxyphenyl)-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide (CID 109149768) is 4-N-(4-ethoxyphenyl)-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(4-ethoxyphenyl)-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(4-ethoxyphenyl)-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide is CCOc1ccc(NC(=O)C2CCC(C(=O)NCCC(C)C)CC2)cc1.
What is the InChIKey of 4-N-(4-ethoxyphenyl)-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is OQVIWVTXVWMUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-4-26-19-11-9-18(10-12-19)23-21(25)17-7-5-16(6-8-17)20(24)22-14-13-15(2)3/h9-12,15-17H,4-8,13-14H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 4-N-(4-ethoxyphenyl)-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide?
4-N-(4-ethoxyphenyl)-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 360.50 g/mol, XLogP of 3.99, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-ethoxyphenyl)-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109149768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).