4-ethoxy-N-[3-(3-methylbutoxy)phenyl]benzamide

C20H25NO3 — CID 17097294

IUPAC4-ethoxy-N-[3-(3-methylbutoxy)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2cccc(OCCC(C)C)c2)cc1
InChIInChI=1S/C20H25NO3/c1-4-23-18-10-8-16(9-11-18)20(22)21-17-6-5-7-19(14-17)24-13-12-15(2)3/h5-11,14-15H,4,12-13H2,1-3H3,(H,21,22)
InChIKeyVQBAAFTUOMWWAA-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.76
Rot. Bonds8

About 4-ethoxy-N-[3-(3-methylbutoxy)phenyl]benzamide

4-ethoxy-N-[3-(3-methylbutoxy)phenyl]benzamide (PubChem CID 17097294) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 4-ethoxy-N-[3-(3-methylbutoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[3-(3-methylbutoxy)phenyl]benzamide
PubChem CID17097294
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name4-ethoxy-N-[3-(3-methylbutoxy)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2cccc(OCCC(C)C)c2)cc1
InChIInChI=1S/C20H25NO3/c1-4-23-18-10-8-16(9-11-18)20(22)21-17-6-5-7-19(14-17)24-13-12-15(2)3/h5-11,14-15H,4,12-13H2,1-3H3,(H,21,22)
InChIKeyVQBAAFTUOMWWAA-UHFFFAOYSA-N
XLogP4.76
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methylbutoxy)-N-(3-propoxyphenyl)benzamide
CID 17096779
3-(2-ethoxyethoxy)-N-[3-(3-methylbutoxy)phenyl]benzamide
CID 17139676
N-[[3-(3-methylbutoxy)phenyl]carbamothioyl]-4-propoxybenzamide
CID 17097411
4-(2-methylpropoxy)-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079614
4-(2-methylpropoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123566
4-(2-methoxyethoxy)-N-[[3-(3-methylbutoxy)phenyl]carbamothioyl]benzamide
CID 17097442
3-butan-2-yloxy-N-[3-(3-methylbutoxy)phenyl]benzamide
CID 17149831
N-[3-(2-methylpropoxy)phenyl]-4-pentoxybenzamide
CID 17079611
3-(3-methylbutoxy)-N-(4-propoxyphenyl)benzamide
CID 4981769
N-[[3-(3-methylbutoxy)phenyl]carbamothioyl]-4-pentoxybenzamide
CID 17097408
4-propan-2-yloxy-N-(3-propoxyphenyl)benzamide
CID 17096762
N-(3-hexoxyphenyl)-4-(2-methylpropoxy)benzamide
CID 17094813

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[3-(3-methylbutoxy)phenyl]benzamide?
The IUPAC name of 4-ethoxy-N-[3-(3-methylbutoxy)phenyl]benzamide (CID 17097294) is 4-ethoxy-N-[3-(3-methylbutoxy)phenyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[3-(3-methylbutoxy)phenyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[3-(3-methylbutoxy)phenyl]benzamide is CCOc1ccc(C(=O)Nc2cccc(OCCC(C)C)c2)cc1.
What is the InChIKey of 4-ethoxy-N-[3-(3-methylbutoxy)phenyl]benzamide?
The InChIKey is VQBAAFTUOMWWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-4-23-18-10-8-16(9-11-18)20(22)21-17-6-5-7-19(14-17)24-13-12-15(2)3/h5-11,14-15H,4,12-13H2,1-3H3,(H,21,22).
What are the key properties of 4-ethoxy-N-[3-(3-methylbutoxy)phenyl]benzamide?
4-ethoxy-N-[3-(3-methylbutoxy)phenyl]benzamide has a molecular weight of 327.42 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[3-(3-methylbutoxy)phenyl]benzamide is sourced from PubChem (CID 17097294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).