3-ethoxy-4-methoxy-N-[3-(2-phenylethoxy)propyl]benzamide

C21H27NO4 — CID 55863487

IUPAC3-ethoxy-4-methoxy-N-[3-(2-phenylethoxy)propyl]benzamide
SMILESCCOc1cc(C(=O)NCCCOCCc2ccccc2)ccc1OC
InChIInChI=1S/C21H27NO4/c1-3-26-20-16-18(10-11-19(20)24-2)21(23)22-13-7-14-25-15-12-17-8-5-4-6-9-17/h4-6,8-11,16H,3,7,12-15H2,1-2H3,(H,22,23)
InChIKeyGNAWRQYDSDVYTJ-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.47
Rot. Bonds11

About 3-ethoxy-4-methoxy-N-[3-(2-phenylethoxy)propyl]benzamide

3-ethoxy-4-methoxy-N-[3-(2-phenylethoxy)propyl]benzamide (PubChem CID 55863487) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is 3-ethoxy-4-methoxy-N-[3-(2-phenylethoxy)propyl]benzamide.

Molecular Properties

Compound Name3-ethoxy-4-methoxy-N-[3-(2-phenylethoxy)propyl]benzamide
PubChem CID55863487
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC Name3-ethoxy-4-methoxy-N-[3-(2-phenylethoxy)propyl]benzamide
SMILESCCOc1cc(C(=O)NCCCOCCc2ccccc2)ccc1OC
InChIInChI=1S/C21H27NO4/c1-3-26-20-16-18(10-11-19(20)24-2)21(23)22-13-7-14-25-15-12-17-8-5-4-6-9-17/h4-6,8-11,16H,3,7,12-15H2,1-2H3,(H,22,23)
InChIKeyGNAWRQYDSDVYTJ-UHFFFAOYSA-N
XLogP3.47
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-4-methoxy-N-[3-(N-methylanilino)propyl]benzamide
CID 37315779
3,4-dimethoxy-N'-[4-(2-phenylethoxy)butanoyl]benzohydrazide
CID 55833812
3-ethoxy-N-(5-hydroxypentyl)-4-methoxybenzamide
CID 107319012
3-ethoxy-N-[2-(3-fluorophenyl)ethyl]-4-methoxybenzamide
CID 18118772
3,4-diethoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31115214
4-hydroxy-3-methoxy-N-(4-phenylbutyl)benzamide
CID 23652768
3,4-diethoxy-N-[3-(1-phenylethoxy)propyl]benzamide
CID 46421326
3-methoxy-N-(3-phenoxypropyl)-4-phenylmethoxybenzamide
CID 55431173
4-methylsulfinyl-N-[3-(2-phenylethoxy)propyl]benzamide
CID 86821054
3-amino-N-[3-(2-phenylethoxy)propyl]benzamide;hydrochloride
CID 119739690
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethoxy-4-methoxybenzamide
CID 134027438
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-phenylmethoxybenzamide
CID 102275791

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-methoxy-N-[3-(2-phenylethoxy)propyl]benzamide?
The IUPAC name of 3-ethoxy-4-methoxy-N-[3-(2-phenylethoxy)propyl]benzamide (CID 55863487) is 3-ethoxy-4-methoxy-N-[3-(2-phenylethoxy)propyl]benzamide.
What is the SMILES notation for 3-ethoxy-4-methoxy-N-[3-(2-phenylethoxy)propyl]benzamide?
The canonical SMILES for 3-ethoxy-4-methoxy-N-[3-(2-phenylethoxy)propyl]benzamide is CCOc1cc(C(=O)NCCCOCCc2ccccc2)ccc1OC.
What is the InChIKey of 3-ethoxy-4-methoxy-N-[3-(2-phenylethoxy)propyl]benzamide?
The InChIKey is GNAWRQYDSDVYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4/c1-3-26-20-16-18(10-11-19(20)24-2)21(23)22-13-7-14-25-15-12-17-8-5-4-6-9-17/h4-6,8-11,16H,3,7,12-15H2,1-2H3,(H,22,23).
What are the key properties of 3-ethoxy-4-methoxy-N-[3-(2-phenylethoxy)propyl]benzamide?
3-ethoxy-4-methoxy-N-[3-(2-phenylethoxy)propyl]benzamide has a molecular weight of 357.45 g/mol, XLogP of 3.47, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-methoxy-N-[3-(2-phenylethoxy)propyl]benzamide is sourced from PubChem (CID 55863487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).