2-(3-methoxy-4-propoxyphenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide

C24H31NO4 — CID 2940239

IUPAC2-(3-methoxy-4-propoxyphenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
SMILESCCCOc1ccc(CC(=O)NCC2(c3ccccc3)CCOCC2)cc1OC
InChIInChI=1S/C24H31NO4/c1-3-13-29-21-10-9-19(16-22(21)27-2)17-23(26)25-18-24(11-14-28-15-12-24)20-7-5-4-6-8-20/h4-10,16H,3,11-15,17-18H2,1-2H3,(H,25,26)
InChIKeyASFGIPOVIYLMCV-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.89
Rot. Bonds9

About 2-(3-methoxy-4-propoxyphenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide

2-(3-methoxy-4-propoxyphenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide (PubChem CID 2940239) has the molecular formula C24H31NO4 and a molecular weight of 397.52 g/mol. Its IUPAC name is 2-(3-methoxy-4-propoxyphenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-methoxy-4-propoxyphenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
PubChem CID2940239
Molecular FormulaC24H31NO4
Molecular Weight397.52 g/mol
Exact Mass397.23
IUPAC Name2-(3-methoxy-4-propoxyphenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
SMILESCCCOc1ccc(CC(=O)NCC2(c3ccccc3)CCOCC2)cc1OC
InChIInChI=1S/C24H31NO4/c1-3-13-29-21-10-9-19(16-22(21)27-2)17-23(26)25-18-24(11-14-28-15-12-24)20-7-5-4-6-8-20/h4-10,16H,3,11-15,17-18H2,1-2H3,(H,25,26)
InChIKeyASFGIPOVIYLMCV-UHFFFAOYSA-N
XLogP3.89
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-methoxy-4-propoxyphenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-propoxyphenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide?
The IUPAC name of 2-(3-methoxy-4-propoxyphenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide (CID 2940239) is 2-(3-methoxy-4-propoxyphenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-methoxy-4-propoxyphenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide?
The canonical SMILES for 2-(3-methoxy-4-propoxyphenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide is CCCOc1ccc(CC(=O)NCC2(c3ccccc3)CCOCC2)cc1OC.
What is the InChIKey of 2-(3-methoxy-4-propoxyphenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide?
The InChIKey is ASFGIPOVIYLMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO4/c1-3-13-29-21-10-9-19(16-22(21)27-2)17-23(26)25-18-24(11-14-28-15-12-24)20-7-5-4-6-8-20/h4-10,16H,3,11-15,17-18H2,1-2H3,(H,25,26).
What are the key properties of 2-(3-methoxy-4-propoxyphenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide?
2-(3-methoxy-4-propoxyphenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide has a molecular weight of 397.52 g/mol, XLogP of 3.89, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-propoxyphenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide is sourced from PubChem (CID 2940239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).