4-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]cyclohexane-1,4-dicarboxamide

C22H32N2O4 — CID 109145817

IUPAC4-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]cyclohexane-1,4-dicarboxamide
SMILESCOc1ccc(OCCNC(=O)C2CCC(C(=O)NC3CCCC3)CC2)cc1
InChIInChI=1S/C22H32N2O4/c1-27-19-10-12-20(13-11-19)28-15-14-23-21(25)16-6-8-17(9-7-16)22(26)24-18-4-2-3-5-18/h10-13,16-18H,2-9,14-15H2,1H3,(H,23,25)(H,24,26)
InChIKeyXYVCVHBDDLCGHN-UHFFFAOYSA-N
MW388.51 g/mol
LogP3.06
Rot. Bonds8

About 4-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]cyclohexane-1,4-dicarboxamide

4-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]cyclohexane-1,4-dicarboxamide (PubChem CID 109145817) has the molecular formula C22H32N2O4 and a molecular weight of 388.51 g/mol. Its IUPAC name is 4-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]cyclohexane-1,4-dicarboxamide
PubChem CID109145817
Molecular FormulaC22H32N2O4
Molecular Weight388.51 g/mol
Exact Mass388.24
IUPAC Name4-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]cyclohexane-1,4-dicarboxamide
SMILESCOc1ccc(OCCNC(=O)C2CCC(C(=O)NC3CCCC3)CC2)cc1
InChIInChI=1S/C22H32N2O4/c1-27-19-10-12-20(13-11-19)28-15-14-23-21(25)16-6-8-17(9-7-16)22(26)24-18-4-2-3-5-18/h10-13,16-18H,2-9,14-15H2,1H3,(H,23,25)(H,24,26)
InChIKeyXYVCVHBDDLCGHN-UHFFFAOYSA-N
XLogP3.06
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.06
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

N-[2-(4-methoxyphenoxy)ethyl]cyclopropanecarboxamide
CID 8935452
N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]cyclopropanecarboxamide
CID 46434634
4-N-cyclohexyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,4-dicarboxamide
CID 109044769
N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]cyclobutanecarboxamide
CID 112994880
1-N-cyclopentyl-4-N-(4-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109145869
N-[2-(4-tert-butylphenoxy)ethyl]cyclopentanecarboxamide
CID 94868061
3-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,3-dicarboxamide
CID 109051864
N-(2-phenoxyethyl)cyclopentanecarboxamide
CID 30349598
1-cyclopentyl-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine
CID 110991331
N-[2-(4-methoxyphenoxy)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 113005367
N-(2-phenoxyethyl)cyclohexanecarboxamide
CID 2298971
tert-butyl 4-[2-(4-methoxyphenoxy)ethylcarbamoyl]piperidine-1-carboxylate
CID 51232746

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]cyclohexane-1,4-dicarboxamide (CID 109145817) is 4-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]cyclohexane-1,4-dicarboxamide is COc1ccc(OCCNC(=O)C2CCC(C(=O)NC3CCCC3)CC2)cc1.
What is the InChIKey of 4-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]cyclohexane-1,4-dicarboxamide?
The InChIKey is XYVCVHBDDLCGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O4/c1-27-19-10-12-20(13-11-19)28-15-14-23-21(25)16-6-8-17(9-7-16)22(26)24-18-4-2-3-5-18/h10-13,16-18H,2-9,14-15H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 4-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]cyclohexane-1,4-dicarboxamide?
4-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]cyclohexane-1,4-dicarboxamide has a molecular weight of 388.51 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109145817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).