4-butoxy-3-ethoxy-N-(2-ethylphenyl)benzamide

C21H27NO3 — CID 8839335

IUPAC4-butoxy-3-ethoxy-N-(2-ethylphenyl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccccc2CC)cc1OCC
InChIInChI=1S/C21H27NO3/c1-4-7-14-25-19-13-12-17(15-20(19)24-6-3)21(23)22-18-11-9-8-10-16(18)5-2/h8-13,15H,4-7,14H2,1-3H3,(H,22,23)
InChIKeyJYTPFNRJXORSFG-UHFFFAOYSA-N
MW341.45 g/mol
LogP5.08
Rot. Bonds9

About 4-butoxy-3-ethoxy-N-(2-ethylphenyl)benzamide

4-butoxy-3-ethoxy-N-(2-ethylphenyl)benzamide (PubChem CID 8839335) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 4-butoxy-3-ethoxy-N-(2-ethylphenyl)benzamide.

Molecular Properties

Compound Name4-butoxy-3-ethoxy-N-(2-ethylphenyl)benzamide
PubChem CID8839335
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name4-butoxy-3-ethoxy-N-(2-ethylphenyl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccccc2CC)cc1OCC
InChIInChI=1S/C21H27NO3/c1-4-7-14-25-19-13-12-17(15-20(19)24-6-3)21(23)22-18-11-9-8-10-16(18)5-2/h8-13,15H,4-7,14H2,1-3H3,(H,22,23)
InChIKeyJYTPFNRJXORSFG-UHFFFAOYSA-N
XLogP5.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.45
LogP ≤ 55.08
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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Related Compounds

3,4-diethoxy-N-[2-(methylaminomethyl)phenyl]benzamide
CID 119437877
3,4-diethoxy-N-[2-(ethylaminomethyl)phenyl]benzamide
CID 119438964
4-butoxy-3-ethoxy-N-(4-phenylphenyl)benzamide
CID 9452358
3-[(4-butoxy-3-ethoxybenzoyl)amino]-4-hydroxybenzoic acid
CID 108753995
N-[2-(butanoylamino)phenyl]-3,4-diethoxybenzamide
CID 1307408
[2-(2-ethylanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 30388748
3,4-diethoxy-N-(2-methoxyphenyl)benzamide
CID 669527
4-butoxy-3-methoxy-N-(2-propoxyphenyl)benzamide
CID 26897955
1-N,4-N-bis(2-butoxyphenyl)benzene-1,4-dicarboxamide
CID 17087319
N-(2-butoxyphenyl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 55953832
N-(2-amino-5-methoxyphenyl)-4-butoxy-3-ethoxybenzamide
CID 119421219
3-ethoxy-N-[2-(propan-2-ylcarbamoyl)phenyl]-4-propoxybenzamide
CID 34556582

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3-ethoxy-N-(2-ethylphenyl)benzamide?
The IUPAC name of 4-butoxy-3-ethoxy-N-(2-ethylphenyl)benzamide (CID 8839335) is 4-butoxy-3-ethoxy-N-(2-ethylphenyl)benzamide.
What is the SMILES notation for 4-butoxy-3-ethoxy-N-(2-ethylphenyl)benzamide?
The canonical SMILES for 4-butoxy-3-ethoxy-N-(2-ethylphenyl)benzamide is CCCCOc1ccc(C(=O)Nc2ccccc2CC)cc1OCC.
What is the InChIKey of 4-butoxy-3-ethoxy-N-(2-ethylphenyl)benzamide?
The InChIKey is JYTPFNRJXORSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-4-7-14-25-19-13-12-17(15-20(19)24-6-3)21(23)22-18-11-9-8-10-16(18)5-2/h8-13,15H,4-7,14H2,1-3H3,(H,22,23).
What are the key properties of 4-butoxy-3-ethoxy-N-(2-ethylphenyl)benzamide?
4-butoxy-3-ethoxy-N-(2-ethylphenyl)benzamide has a molecular weight of 341.45 g/mol, XLogP of 5.08, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3-ethoxy-N-(2-ethylphenyl)benzamide is sourced from PubChem (CID 8839335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).