4-butoxy-N-[2-(3-methoxyphenoxy)ethyl]benzamide

C20H25NO4 — CID 2222926

IUPAC4-butoxy-N-[2-(3-methoxyphenoxy)ethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCCOc2cccc(OC)c2)cc1
InChIInChI=1S/C20H25NO4/c1-3-4-13-24-17-10-8-16(9-11-17)20(22)21-12-14-25-19-7-5-6-18(15-19)23-2/h5-11,15H,3-4,12-14H2,1-2H3,(H,21,22)
InChIKeyDZIRSIMQKCEZCM-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.68
Rot. Bonds10

About 4-butoxy-N-[2-(3-methoxyphenoxy)ethyl]benzamide

4-butoxy-N-[2-(3-methoxyphenoxy)ethyl]benzamide (PubChem CID 2222926) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is 4-butoxy-N-[2-(3-methoxyphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[2-(3-methoxyphenoxy)ethyl]benzamide
PubChem CID2222926
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name4-butoxy-N-[2-(3-methoxyphenoxy)ethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCCOc2cccc(OC)c2)cc1
InChIInChI=1S/C20H25NO4/c1-3-4-13-24-17-10-8-16(9-11-17)20(22)21-12-14-25-19-7-5-6-18(15-19)23-2/h5-11,15H,3-4,12-14H2,1-2H3,(H,21,22)
InChIKeyDZIRSIMQKCEZCM-UHFFFAOYSA-N
XLogP3.68
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.68
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-butoxy-N-[2-(3-methoxyphenoxy)ethyl]benzamide?
The IUPAC name of 4-butoxy-N-[2-(3-methoxyphenoxy)ethyl]benzamide (CID 2222926) is 4-butoxy-N-[2-(3-methoxyphenoxy)ethyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[2-(3-methoxyphenoxy)ethyl]benzamide?
The canonical SMILES for 4-butoxy-N-[2-(3-methoxyphenoxy)ethyl]benzamide is CCCCOc1ccc(C(=O)NCCOc2cccc(OC)c2)cc1.
What is the InChIKey of 4-butoxy-N-[2-(3-methoxyphenoxy)ethyl]benzamide?
The InChIKey is DZIRSIMQKCEZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-3-4-13-24-17-10-8-16(9-11-17)20(22)21-12-14-25-19-7-5-6-18(15-19)23-2/h5-11,15H,3-4,12-14H2,1-2H3,(H,21,22).
What are the key properties of 4-butoxy-N-[2-(3-methoxyphenoxy)ethyl]benzamide?
4-butoxy-N-[2-(3-methoxyphenoxy)ethyl]benzamide has a molecular weight of 343.42 g/mol, XLogP of 3.68, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[2-(3-methoxyphenoxy)ethyl]benzamide is sourced from PubChem (CID 2222926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).