4-methoxy-3-pentoxy-N-(2-pyridin-4-ylethyl)benzamide

C20H26N2O3 — CID 54208075

IUPAC4-methoxy-3-pentoxy-N-(2-pyridin-4-ylethyl)benzamide
SMILESCCCCCOc1cc(C(=O)NCCc2ccncc2)ccc1OC
InChIInChI=1S/C20H26N2O3/c1-3-4-5-14-25-19-15-17(6-7-18(19)24-2)20(23)22-13-10-16-8-11-21-12-9-16/h6-9,11-12,15H,3-5,10,13-14H2,1-2H3,(H,22,23)
InChIKeyPTYNPSLXADNMBZ-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.63
Rot. Bonds10

About 4-methoxy-3-pentoxy-N-(2-pyridin-4-ylethyl)benzamide

4-methoxy-3-pentoxy-N-(2-pyridin-4-ylethyl)benzamide (PubChem CID 54208075) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 4-methoxy-3-pentoxy-N-(2-pyridin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-methoxy-3-pentoxy-N-(2-pyridin-4-ylethyl)benzamide
PubChem CID54208075
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name4-methoxy-3-pentoxy-N-(2-pyridin-4-ylethyl)benzamide
SMILESCCCCCOc1cc(C(=O)NCCc2ccncc2)ccc1OC
InChIInChI=1S/C20H26N2O3/c1-3-4-5-14-25-19-15-17(6-7-18(19)24-2)20(23)22-13-10-16-8-11-21-12-9-16/h6-9,11-12,15H,3-5,10,13-14H2,1-2H3,(H,22,23)
InChIKeyPTYNPSLXADNMBZ-UHFFFAOYSA-N
XLogP3.63
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-pentoxy-N-(2-pyridin-4-ylethyl)benzamide?
The IUPAC name of 4-methoxy-3-pentoxy-N-(2-pyridin-4-ylethyl)benzamide (CID 54208075) is 4-methoxy-3-pentoxy-N-(2-pyridin-4-ylethyl)benzamide.
What is the SMILES notation for 4-methoxy-3-pentoxy-N-(2-pyridin-4-ylethyl)benzamide?
The canonical SMILES for 4-methoxy-3-pentoxy-N-(2-pyridin-4-ylethyl)benzamide is CCCCCOc1cc(C(=O)NCCc2ccncc2)ccc1OC.
What is the InChIKey of 4-methoxy-3-pentoxy-N-(2-pyridin-4-ylethyl)benzamide?
The InChIKey is PTYNPSLXADNMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-3-4-5-14-25-19-15-17(6-7-18(19)24-2)20(23)22-13-10-16-8-11-21-12-9-16/h6-9,11-12,15H,3-5,10,13-14H2,1-2H3,(H,22,23).
What are the key properties of 4-methoxy-3-pentoxy-N-(2-pyridin-4-ylethyl)benzamide?
4-methoxy-3-pentoxy-N-(2-pyridin-4-ylethyl)benzamide has a molecular weight of 342.44 g/mol, XLogP of 3.63, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-pentoxy-N-(2-pyridin-4-ylethyl)benzamide is sourced from PubChem (CID 54208075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).