4-ethoxy-N-[1-(4-methoxyphenoxy)propan-2-yl]-3-methylbenzamide

C20H25NO4 — CID 133161789

IUPAC4-ethoxy-N-[1-(4-methoxyphenoxy)propan-2-yl]-3-methylbenzamide
SMILESCCOc1ccc(C(=O)NC(C)COc2ccc(OC)cc2)cc1C
InChIInChI=1S/C20H25NO4/c1-5-24-19-11-6-16(12-14(19)2)20(22)21-15(3)13-25-18-9-7-17(23-4)8-10-18/h6-12,15H,5,13H2,1-4H3,(H,21,22)
InChIKeySSPARGZVTBIQAX-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.60
Rot. Bonds8

About 4-ethoxy-N-[1-(4-methoxyphenoxy)propan-2-yl]-3-methylbenzamide

4-ethoxy-N-[1-(4-methoxyphenoxy)propan-2-yl]-3-methylbenzamide (PubChem CID 133161789) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is 4-ethoxy-N-[1-(4-methoxyphenoxy)propan-2-yl]-3-methylbenzamide.

Molecular Properties

Compound Name4-ethoxy-N-[1-(4-methoxyphenoxy)propan-2-yl]-3-methylbenzamide
PubChem CID133161789
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name4-ethoxy-N-[1-(4-methoxyphenoxy)propan-2-yl]-3-methylbenzamide
SMILESCCOc1ccc(C(=O)NC(C)COc2ccc(OC)cc2)cc1C
InChIInChI=1S/C20H25NO4/c1-5-24-19-11-6-16(12-14(19)2)20(22)21-15(3)13-25-18-9-7-17(23-4)8-10-18/h6-12,15H,5,13H2,1-4H3,(H,21,22)
InChIKeySSPARGZVTBIQAX-UHFFFAOYSA-N
XLogP3.60
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-[1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 132651364
3-fluoro-4-methoxy-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 100611701
3-chloro-4-ethoxy-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]benzamide
CID 100713523
4-methoxy-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]benzamide
CID 95179251
4-methoxy-N-(1-methoxypropan-2-yl)-3-methylbenzamide
CID 18892567
4-ethoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylbenzamide
CID 28558287
N-[(2S)-butan-2-yl]-4-methoxy-3-methylbenzamide
CID 40922017
N-[(2S)-butan-2-yl]-3-ethoxy-4-methoxybenzamide
CID 94335981
3-iodo-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 100513830
3-[(3,4-dimethylphenoxy)methyl]-4-ethoxy-N-(1-methoxypropan-2-yl)benzamide
CID 133254157
4-ethoxy-3-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
CID 133209826
4-ethoxy-3-(methoxymethyl)-N-(1-methoxypropan-2-yl)benzamide
CID 133228824

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[1-(4-methoxyphenoxy)propan-2-yl]-3-methylbenzamide?
The IUPAC name of 4-ethoxy-N-[1-(4-methoxyphenoxy)propan-2-yl]-3-methylbenzamide (CID 133161789) is 4-ethoxy-N-[1-(4-methoxyphenoxy)propan-2-yl]-3-methylbenzamide.
What is the SMILES notation for 4-ethoxy-N-[1-(4-methoxyphenoxy)propan-2-yl]-3-methylbenzamide?
The canonical SMILES for 4-ethoxy-N-[1-(4-methoxyphenoxy)propan-2-yl]-3-methylbenzamide is CCOc1ccc(C(=O)NC(C)COc2ccc(OC)cc2)cc1C.
What is the InChIKey of 4-ethoxy-N-[1-(4-methoxyphenoxy)propan-2-yl]-3-methylbenzamide?
The InChIKey is SSPARGZVTBIQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-5-24-19-11-6-16(12-14(19)2)20(22)21-15(3)13-25-18-9-7-17(23-4)8-10-18/h6-12,15H,5,13H2,1-4H3,(H,21,22).
What are the key properties of 4-ethoxy-N-[1-(4-methoxyphenoxy)propan-2-yl]-3-methylbenzamide?
4-ethoxy-N-[1-(4-methoxyphenoxy)propan-2-yl]-3-methylbenzamide has a molecular weight of 343.42 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[1-(4-methoxyphenoxy)propan-2-yl]-3-methylbenzamide is sourced from PubChem (CID 133161789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).