2-(3-methylbutoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide

C26H29NO3 — CID 17142197

IUPAC2-(3-methylbutoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide
SMILESCC(C)CCOc1ccccc1C(=O)Nc1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C26H29NO3/c1-20(2)15-17-30-25-14-7-6-13-24(25)26(28)27-22-11-8-12-23(19-22)29-18-16-21-9-4-3-5-10-21/h3-14,19-20H,15-18H2,1-2H3,(H,27,28)
InChIKeyWPSIBHLFZWMBMF-UHFFFAOYSA-N
MW403.52 g/mol
LogP5.99
Rot. Bonds10

About 2-(3-methylbutoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide

2-(3-methylbutoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide (PubChem CID 17142197) has the molecular formula C26H29NO3 and a molecular weight of 403.52 g/mol. Its IUPAC name is 2-(3-methylbutoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-(3-methylbutoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide
PubChem CID17142197
Molecular FormulaC26H29NO3
Molecular Weight403.52 g/mol
Exact Mass403.21
IUPAC Name2-(3-methylbutoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide
SMILESCC(C)CCOc1ccccc1C(=O)Nc1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C26H29NO3/c1-20(2)15-17-30-25-14-7-6-13-24(25)26(28)27-22-11-8-12-23(19-22)29-18-16-21-9-4-3-5-10-21/h3-14,19-20H,15-18H2,1-2H3,(H,27,28)
InChIKeyWPSIBHLFZWMBMF-UHFFFAOYSA-N
XLogP5.99
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.52
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-phenylethoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide
CID 17142269
N-[[3-(3-methylbutoxy)phenyl]carbamothioyl]-2-(2-phenylethoxy)benzamide
CID 19628556
2-(3-methylbutoxy)-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17067004
2-(2-phenylethoxy)-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154818
N-[3-(3-methylbutoxy)phenyl]-3-(2-phenylethoxy)benzamide
CID 17134436
N-(3-hexoxyphenyl)-2-(3-methylbutoxy)benzamide
CID 17094817
2-(3-methylbutoxy)-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086733
N-[3-(3-methylbutoxy)phenyl]-3-phenylpropanamide
CID 17097232
N-[3-(2-methoxyethoxy)phenyl]-2-(2-phenoxyethoxy)benzamide
CID 17169883
N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]-2-(2-phenylethoxy)benzamide
CID 19628562
2-(2-phenoxyethoxy)-N-[3-(2-sulfanylpropyl)phenyl]benzamide
CID 139322954
2-(2-phenylethoxy)-N-[3-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 43877888

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide?
The IUPAC name of 2-(3-methylbutoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide (CID 17142197) is 2-(3-methylbutoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide.
What is the SMILES notation for 2-(3-methylbutoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide?
The canonical SMILES for 2-(3-methylbutoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide is CC(C)CCOc1ccccc1C(=O)Nc1cccc(OCCc2ccccc2)c1.
What is the InChIKey of 2-(3-methylbutoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide?
The InChIKey is WPSIBHLFZWMBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO3/c1-20(2)15-17-30-25-14-7-6-13-24(25)26(28)27-22-11-8-12-23(19-22)29-18-16-21-9-4-3-5-10-21/h3-14,19-20H,15-18H2,1-2H3,(H,27,28).
What are the key properties of 2-(3-methylbutoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide?
2-(3-methylbutoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide has a molecular weight of 403.52 g/mol, XLogP of 5.99, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide is sourced from PubChem (CID 17142197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).