4-tert-butyl-N-[2-(2-methoxyphenoxy)ethyl]benzamide

C20H25NO3 — CID 2222870

IUPAC4-tert-butyl-N-[2-(2-methoxyphenoxy)ethyl]benzamide
SMILESCOc1ccccc1OCCNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H25NO3/c1-20(2,3)16-11-9-15(10-12-16)19(22)21-13-14-24-18-8-6-5-7-17(18)23-4/h5-12H,13-14H2,1-4H3,(H,21,22)
InChIKeyKMLWAHNRJMDIFK-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.80
Rot. Bonds6

About 4-tert-butyl-N-[2-(2-methoxyphenoxy)ethyl]benzamide

4-tert-butyl-N-[2-(2-methoxyphenoxy)ethyl]benzamide (PubChem CID 2222870) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(2-methoxyphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(2-methoxyphenoxy)ethyl]benzamide
PubChem CID2222870
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name4-tert-butyl-N-[2-(2-methoxyphenoxy)ethyl]benzamide
SMILESCOc1ccccc1OCCNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H25NO3/c1-20(2,3)16-11-9-15(10-12-16)19(22)21-13-14-24-18-8-6-5-7-17(18)23-4/h5-12H,13-14H2,1-4H3,(H,21,22)
InChIKeyKMLWAHNRJMDIFK-UHFFFAOYSA-N
XLogP3.80
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-tert-butyl-N-[2-(2-methoxyphenoxy)ethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-(2-methoxyphenoxy)ethyl]benzamide (CID 2222870) is 4-tert-butyl-N-[2-(2-methoxyphenoxy)ethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-(2-methoxyphenoxy)ethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-(2-methoxyphenoxy)ethyl]benzamide is COc1ccccc1OCCNC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-(2-methoxyphenoxy)ethyl]benzamide?
The InChIKey is KMLWAHNRJMDIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-20(2,3)16-11-9-15(10-12-16)19(22)21-13-14-24-18-8-6-5-7-17(18)23-4/h5-12H,13-14H2,1-4H3,(H,21,22).
What are the key properties of 4-tert-butyl-N-[2-(2-methoxyphenoxy)ethyl]benzamide?
4-tert-butyl-N-[2-(2-methoxyphenoxy)ethyl]benzamide has a molecular weight of 327.42 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-(2-methoxyphenoxy)ethyl]benzamide is sourced from PubChem (CID 2222870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).