4-N-cyclohexyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,4-dicarboxamide

C23H28N2O4 — CID 109044769

IUPAC4-N-cyclohexyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,4-dicarboxamide
SMILESCOc1ccc(OCCNC(=O)c2ccc(C(=O)NC3CCCCC3)cc2)cc1
InChIInChI=1S/C23H28N2O4/c1-28-20-11-13-21(14-12-20)29-16-15-24-22(26)17-7-9-18(10-8-17)23(27)25-19-5-3-2-4-6-19/h7-14,19H,2-6,15-16H2,1H3,(H,24,26)(H,25,27)
InChIKeyUSJYEFGVFGBKCL-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.57
Rot. Bonds8

About 4-N-cyclohexyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,4-dicarboxamide

4-N-cyclohexyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,4-dicarboxamide (PubChem CID 109044769) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 4-N-cyclohexyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-cyclohexyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,4-dicarboxamide
PubChem CID109044769
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name4-N-cyclohexyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,4-dicarboxamide
SMILESCOc1ccc(OCCNC(=O)c2ccc(C(=O)NC3CCCCC3)cc2)cc1
InChIInChI=1S/C23H28N2O4/c1-28-20-11-13-21(14-12-20)29-16-15-24-22(26)17-7-9-18(10-8-17)23(27)25-19-5-3-2-4-6-19/h7-14,19H,2-6,15-16H2,1H3,(H,24,26)(H,25,27)
InChIKeyUSJYEFGVFGBKCL-UHFFFAOYSA-N
XLogP3.57
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,3-dicarboxamide
CID 109051864
N-cyclohexyl-4-propoxybenzamide
CID 4938429
4-iodo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 2222983
4-(2-aminoethoxy)-N-cyclohexylbenzamide
CID 22362508
4-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 2292601
4-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145817
2-(cycloheptylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 109174903
2-(cyclohexylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 109166348
N-cyclohexyl-4-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 28587702
N-[2-(cycloheptylamino)ethyl]-4-(3-methoxypropoxy)benzamide
CID 119620313
4-butoxy-N-cyclobutylbenzamide
CID 71449411
N-cyclopentyl-4-(3-methylbutoxy)benzamide
CID 4948351

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-cyclohexyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,4-dicarboxamide (CID 109044769) is 4-N-cyclohexyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-cyclohexyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-cyclohexyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,4-dicarboxamide is COc1ccc(OCCNC(=O)c2ccc(C(=O)NC3CCCCC3)cc2)cc1.
What is the InChIKey of 4-N-cyclohexyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,4-dicarboxamide?
The InChIKey is USJYEFGVFGBKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-28-20-11-13-21(14-12-20)29-16-15-24-22(26)17-7-9-18(10-8-17)23(27)25-19-5-3-2-4-6-19/h7-14,19H,2-6,15-16H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 4-N-cyclohexyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,4-dicarboxamide?
4-N-cyclohexyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,4-dicarboxamide has a molecular weight of 396.49 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 109044769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).