4-ethoxy-3-[(3-methylphenoxy)methyl]-N-pentan-2-ylbenzamide

C22H29NO3 — CID 133179083

IUPAC4-ethoxy-3-[(3-methylphenoxy)methyl]-N-pentan-2-ylbenzamide
SMILESCCCC(C)NC(=O)c1ccc(OCC)c(COc2cccc(C)c2)c1
InChIInChI=1S/C22H29NO3/c1-5-8-17(4)23-22(24)18-11-12-21(25-6-2)19(14-18)15-26-20-10-7-9-16(3)13-20/h7,9-14,17H,5-6,8,15H2,1-4H3,(H,23,24)
InChIKeyPHHZLOIJYMREGV-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.89
Rot. Bonds9

About 4-ethoxy-3-[(3-methylphenoxy)methyl]-N-pentan-2-ylbenzamide

4-ethoxy-3-[(3-methylphenoxy)methyl]-N-pentan-2-ylbenzamide (PubChem CID 133179083) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is 4-ethoxy-3-[(3-methylphenoxy)methyl]-N-pentan-2-ylbenzamide.

Molecular Properties

Compound Name4-ethoxy-3-[(3-methylphenoxy)methyl]-N-pentan-2-ylbenzamide
PubChem CID133179083
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name4-ethoxy-3-[(3-methylphenoxy)methyl]-N-pentan-2-ylbenzamide
SMILESCCCC(C)NC(=O)c1ccc(OCC)c(COc2cccc(C)c2)c1
InChIInChI=1S/C22H29NO3/c1-5-8-17(4)23-22(24)18-11-12-21(25-6-2)19(14-18)15-26-20-10-7-9-16(3)13-20/h7,9-14,17H,5-6,8,15H2,1-4H3,(H,23,24)
InChIKeyPHHZLOIJYMREGV-UHFFFAOYSA-N
XLogP4.89
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-3-[(3-methoxyphenoxy)methyl]-N-(4-phenylbutan-2-yl)benzamide
CID 133254130
3-[(3,4-dimethylphenoxy)methyl]-4-ethoxy-N-(1-methoxypropan-2-yl)benzamide
CID 133254157
3-[(4-chloro-3-methylphenoxy)methyl]-4-ethoxy-N-(1-methoxypropan-2-yl)benzamide
CID 133221280
4-ethoxy-3-(methoxymethyl)-N-(1-methoxypropan-2-yl)benzamide
CID 133228824
3-ethoxy-N'-[2-(3-methylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide
CID 24538750
4-methoxy-3-[(3-methylphenoxy)methyl]-N-[(1S)-1-(3-pyrrol-1-ylphenyl)ethyl]benzamide
CID 51851467
4-methoxy-3-(phenoxymethyl)-N-(4-phenylbutan-2-yl)benzamide
CID 133149991
3-[(3,4-dimethylphenoxy)methyl]-4-methoxy-N-(4-phenylbutan-2-yl)benzamide
CID 133178361
3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]butanoic acid
CID 119220727
3,4-diethoxy-N-(1-hydroxypropan-2-yl)benzamide
CID 43418840
4-(aminomethyl)-N-[1-(3-methylphenoxy)propan-2-yl]benzamide
CID 119300010
3-amino-4-ethoxy-N-octan-2-ylbenzamide
CID 61476185

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-[(3-methylphenoxy)methyl]-N-pentan-2-ylbenzamide?
The IUPAC name of 4-ethoxy-3-[(3-methylphenoxy)methyl]-N-pentan-2-ylbenzamide (CID 133179083) is 4-ethoxy-3-[(3-methylphenoxy)methyl]-N-pentan-2-ylbenzamide.
What is the SMILES notation for 4-ethoxy-3-[(3-methylphenoxy)methyl]-N-pentan-2-ylbenzamide?
The canonical SMILES for 4-ethoxy-3-[(3-methylphenoxy)methyl]-N-pentan-2-ylbenzamide is CCCC(C)NC(=O)c1ccc(OCC)c(COc2cccc(C)c2)c1.
What is the InChIKey of 4-ethoxy-3-[(3-methylphenoxy)methyl]-N-pentan-2-ylbenzamide?
The InChIKey is PHHZLOIJYMREGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-5-8-17(4)23-22(24)18-11-12-21(25-6-2)19(14-18)15-26-20-10-7-9-16(3)13-20/h7,9-14,17H,5-6,8,15H2,1-4H3,(H,23,24).
What are the key properties of 4-ethoxy-3-[(3-methylphenoxy)methyl]-N-pentan-2-ylbenzamide?
4-ethoxy-3-[(3-methylphenoxy)methyl]-N-pentan-2-ylbenzamide has a molecular weight of 355.48 g/mol, XLogP of 4.89, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-[(3-methylphenoxy)methyl]-N-pentan-2-ylbenzamide is sourced from PubChem (CID 133179083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).