2-(5-acetyl-2-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]acetamide

C22H27NO4 — CID 46536768

IUPAC2-(5-acetyl-2-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]acetamide
SMILESCOc1ccc(C(C)=O)cc1CC(=O)NCCCOC(C)c1ccccc1
InChIInChI=1S/C22H27NO4/c1-16(24)19-10-11-21(26-3)20(14-19)15-22(25)23-12-7-13-27-17(2)18-8-5-4-6-9-18/h4-6,8-11,14,17H,7,12-13,15H2,1-3H3,(H,23,25)
InChIKeyWCUJUVIJQPDNEO-UHFFFAOYSA-N
MW369.46 g/mol
LogP3.72
Rot. Bonds10

About 2-(5-acetyl-2-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]acetamide

2-(5-acetyl-2-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]acetamide (PubChem CID 46536768) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is 2-(5-acetyl-2-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]acetamide.

Molecular Properties

Compound Name2-(5-acetyl-2-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]acetamide
PubChem CID46536768
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Name2-(5-acetyl-2-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]acetamide
SMILESCOc1ccc(C(C)=O)cc1CC(=O)NCCCOC(C)c1ccccc1
InChIInChI=1S/C22H27NO4/c1-16(24)19-10-11-21(26-3)20(14-19)15-22(25)23-12-7-13-27-17(2)18-8-5-4-6-9-18/h4-6,8-11,14,17H,7,12-13,15H2,1-3H3,(H,23,25)
InChIKeyWCUJUVIJQPDNEO-UHFFFAOYSA-N
XLogP3.72
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 53.72
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

2-(5-acetyl-2-methoxyphenyl)-N-(3-ethoxypropyl)acetamide
CID 78789004
2-(5-acetyl-2-methoxyphenyl)-N-(3-aminopropyl)acetamide
CID 119404836
2-(5-acetyl-2-methoxyphenyl)-N-pentylacetamide
CID 78791662
2-(5-acetyl-2-methoxyphenyl)-N-[3-(methylamino)propyl]acetamide;hydrochloride
CID 119429487
4-methoxy-N-[3-(1-phenylethoxy)propyl]benzamide
CID 42942710
3,4-diethoxy-N-[3-(1-phenylethoxy)propyl]benzamide
CID 46421326
2-(methylamino)-N-[3-(1-phenylethoxy)propyl]acetamide;hydrochloride
CID 119693834
2-(5-acetyl-2-methoxyphenyl)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120830590
(E)-3-(3-fluoro-4-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]prop-2-enamide
CID 24678076
2-(5-acetyl-2-methoxyphenyl)-N-(1-methoxypropan-2-yl)acetamide
CID 18161044
2-(3-bromo-4-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]acetamide
CID 60526818
2-(5-acetyl-2-methoxyphenyl)acetic acid
CID 2535148

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]acetamide?
The IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]acetamide (CID 46536768) is 2-(5-acetyl-2-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]acetamide.
What is the SMILES notation for 2-(5-acetyl-2-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]acetamide?
The canonical SMILES for 2-(5-acetyl-2-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]acetamide is COc1ccc(C(C)=O)cc1CC(=O)NCCCOC(C)c1ccccc1.
What is the InChIKey of 2-(5-acetyl-2-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]acetamide?
The InChIKey is WCUJUVIJQPDNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4/c1-16(24)19-10-11-21(26-3)20(14-19)15-22(25)23-12-7-13-27-17(2)18-8-5-4-6-9-18/h4-6,8-11,14,17H,7,12-13,15H2,1-3H3,(H,23,25).
What are the key properties of 2-(5-acetyl-2-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]acetamide?
2-(5-acetyl-2-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]acetamide has a molecular weight of 369.46 g/mol, XLogP of 3.72, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-2-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]acetamide is sourced from PubChem (CID 46536768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).