3-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,3-dicarboxamide

C22H26N2O4 — CID 109051864

IUPAC3-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,3-dicarboxamide
SMILESCOc1ccc(OCCNC(=O)c2cccc(C(=O)NC3CCCC3)c2)cc1
InChIInChI=1S/C22H26N2O4/c1-27-19-9-11-20(12-10-19)28-14-13-23-21(25)16-5-4-6-17(15-16)22(26)24-18-7-2-3-8-18/h4-6,9-12,15,18H,2-3,7-8,13-14H2,1H3,(H,23,25)(H,24,26)
InChIKeyXLJMIYXEIVQRBN-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.18
Rot. Bonds8

About 3-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,3-dicarboxamide

3-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,3-dicarboxamide (PubChem CID 109051864) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 3-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,3-dicarboxamide
PubChem CID109051864
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name3-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,3-dicarboxamide
SMILESCOc1ccc(OCCNC(=O)c2cccc(C(=O)NC3CCCC3)c2)cc1
InChIInChI=1S/C22H26N2O4/c1-27-19-9-11-20(12-10-19)28-14-13-23-21(25)16-5-4-6-17(15-16)22(26)24-18-7-2-3-8-18/h4-6,9-12,15,18H,2-3,7-8,13-14H2,1H3,(H,23,25)(H,24,26)
InChIKeyXLJMIYXEIVQRBN-UHFFFAOYSA-N
XLogP3.18
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.18
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

4-N-cyclohexyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,4-dicarboxamide
CID 109044769
3-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 27173443
3-(cyclopropylsulfamoyl)-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 27174310
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-[3-(cyclohexylamino)-3-oxopropyl]-3-methoxybenzamide
CID 17226027
3-methoxy-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761263
6-methoxy-N-(2-phenoxyethyl)naphthalene-2-carboxamide
CID 5302937
3-(4-methoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 3810296
4-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145817
3-N-cyclohexyl-1-N-(2,4-dimethoxyphenyl)benzene-1,3-dicarboxamide
CID 109052232
N-cyclohexyl-3-propoxybenzamide
CID 4960053

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,3-dicarboxamide (CID 109051864) is 3-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,3-dicarboxamide is COc1ccc(OCCNC(=O)c2cccc(C(=O)NC3CCCC3)c2)cc1.
What is the InChIKey of 3-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,3-dicarboxamide?
The InChIKey is XLJMIYXEIVQRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-27-19-9-11-20(12-10-19)28-14-13-23-21(25)16-5-4-6-17(15-16)22(26)24-18-7-2-3-8-18/h4-6,9-12,15,18H,2-3,7-8,13-14H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 3-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,3-dicarboxamide?
3-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,3-dicarboxamide has a molecular weight of 382.46 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 109051864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).