3-ethoxy-N-(2-methyl-6-propan-2-ylphenyl)-4-propoxybenzamide

C22H29NO3 — CID 26218687

IUPAC3-ethoxy-N-(2-methyl-6-propan-2-ylphenyl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2c(C)cccc2C(C)C)cc1OCC
InChIInChI=1S/C22H29NO3/c1-6-13-26-19-12-11-17(14-20(19)25-7-2)22(24)23-21-16(5)9-8-10-18(21)15(3)4/h8-12,14-15H,6-7,13H2,1-5H3,(H,23,24)
InChIKeyQFYDZJHPEQIIPI-UHFFFAOYSA-N
MW355.48 g/mol
LogP5.56
Rot. Bonds8

About 3-ethoxy-N-(2-methyl-6-propan-2-ylphenyl)-4-propoxybenzamide

3-ethoxy-N-(2-methyl-6-propan-2-ylphenyl)-4-propoxybenzamide (PubChem CID 26218687) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is 3-ethoxy-N-(2-methyl-6-propan-2-ylphenyl)-4-propoxybenzamide.

Molecular Properties

Compound Name3-ethoxy-N-(2-methyl-6-propan-2-ylphenyl)-4-propoxybenzamide
PubChem CID26218687
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name3-ethoxy-N-(2-methyl-6-propan-2-ylphenyl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2c(C)cccc2C(C)C)cc1OCC
InChIInChI=1S/C22H29NO3/c1-6-13-26-19-12-11-17(14-20(19)25-7-2)22(24)23-21-16(5)9-8-10-18(21)15(3)4/h8-12,14-15H,6-7,13H2,1-5H3,(H,23,24)
InChIKeyQFYDZJHPEQIIPI-UHFFFAOYSA-N
XLogP5.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 2701404
2-ethoxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 4106952
4-butoxy-3-methoxy-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethoxy]benzamide
CID 29218680
3-chloro-N-[2,6-di(propan-2-yl)phenyl]-5-ethoxy-4-propoxybenzamide
CID 18224809
4-(difluoromethoxy)-3-methoxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 7919835
N-(3-acetamidophenyl)-3-ethoxy-4-propoxybenzamide
CID 26103323
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-ethoxy-N-methyl-4-propoxybenzamide
CID 26619678
4-methoxy-N-(2-methyl-6-propan-2-ylphenyl)-3-prop-2-enylbenzamide
CID 21173889
N-[2,6-di(propan-2-yl)phenyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 26102370
1-N-(2-methoxyethyl)-3-N-(2-methyl-6-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109052582
3-ethoxy-N-[2-(propan-2-ylcarbamoyl)phenyl]-4-propoxybenzamide
CID 34556582
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-ethoxy-4-propoxybenzamide
CID 26909003

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(2-methyl-6-propan-2-ylphenyl)-4-propoxybenzamide?
The IUPAC name of 3-ethoxy-N-(2-methyl-6-propan-2-ylphenyl)-4-propoxybenzamide (CID 26218687) is 3-ethoxy-N-(2-methyl-6-propan-2-ylphenyl)-4-propoxybenzamide.
What is the SMILES notation for 3-ethoxy-N-(2-methyl-6-propan-2-ylphenyl)-4-propoxybenzamide?
The canonical SMILES for 3-ethoxy-N-(2-methyl-6-propan-2-ylphenyl)-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2c(C)cccc2C(C)C)cc1OCC.
What is the InChIKey of 3-ethoxy-N-(2-methyl-6-propan-2-ylphenyl)-4-propoxybenzamide?
The InChIKey is QFYDZJHPEQIIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-6-13-26-19-12-11-17(14-20(19)25-7-2)22(24)23-21-16(5)9-8-10-18(21)15(3)4/h8-12,14-15H,6-7,13H2,1-5H3,(H,23,24).
What are the key properties of 3-ethoxy-N-(2-methyl-6-propan-2-ylphenyl)-4-propoxybenzamide?
3-ethoxy-N-(2-methyl-6-propan-2-ylphenyl)-4-propoxybenzamide has a molecular weight of 355.48 g/mol, XLogP of 5.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(2-methyl-6-propan-2-ylphenyl)-4-propoxybenzamide is sourced from PubChem (CID 26218687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).