N-[3-(4-ethoxy-3-propylphenyl)-2-hydroxy-5-propylphenyl]acetamide

C22H29NO3 — CID 122189658

IUPACN-[3-(4-ethoxy-3-propylphenyl)-2-hydroxy-5-propylphenyl]acetamide
SMILESCCCc1cc(NC(C)=O)c(O)c(-c2ccc(OCC)c(CCC)c2)c1
InChIInChI=1S/C22H29NO3/c1-5-8-16-12-19(22(25)20(13-16)23-15(4)24)17-10-11-21(26-7-3)18(14-17)9-6-2/h10-14,25H,5-9H2,1-4H3,(H,23,24)
InChIKeyLFJUSHODTNRHLQ-UHFFFAOYSA-N
MW355.48 g/mol
LogP5.32
Rot. Bonds8

About N-[3-(4-ethoxy-3-propylphenyl)-2-hydroxy-5-propylphenyl]acetamide

N-[3-(4-ethoxy-3-propylphenyl)-2-hydroxy-5-propylphenyl]acetamide (PubChem CID 122189658) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[3-(4-ethoxy-3-propylphenyl)-2-hydroxy-5-propylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-ethoxy-3-propylphenyl)-2-hydroxy-5-propylphenyl]acetamide
PubChem CID122189658
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC NameN-[3-(4-ethoxy-3-propylphenyl)-2-hydroxy-5-propylphenyl]acetamide
SMILESCCCc1cc(NC(C)=O)c(O)c(-c2ccc(OCC)c(CCC)c2)c1
InChIInChI=1S/C22H29NO3/c1-5-8-16-12-19(22(25)20(13-16)23-15(4)24)17-10-11-21(26-7-3)18(14-17)9-6-2/h10-14,25H,5-9H2,1-4H3,(H,23,24)
InChIKeyLFJUSHODTNRHLQ-UHFFFAOYSA-N
XLogP5.32
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethoxy-3-propylphenyl)-2-hydroxy-5-propylphenyl]acetamide?
The IUPAC name of N-[3-(4-ethoxy-3-propylphenyl)-2-hydroxy-5-propylphenyl]acetamide (CID 122189658) is N-[3-(4-ethoxy-3-propylphenyl)-2-hydroxy-5-propylphenyl]acetamide.
What is the SMILES notation for N-[3-(4-ethoxy-3-propylphenyl)-2-hydroxy-5-propylphenyl]acetamide?
The canonical SMILES for N-[3-(4-ethoxy-3-propylphenyl)-2-hydroxy-5-propylphenyl]acetamide is CCCc1cc(NC(C)=O)c(O)c(-c2ccc(OCC)c(CCC)c2)c1.
What is the InChIKey of N-[3-(4-ethoxy-3-propylphenyl)-2-hydroxy-5-propylphenyl]acetamide?
The InChIKey is LFJUSHODTNRHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-5-8-16-12-19(22(25)20(13-16)23-15(4)24)17-10-11-21(26-7-3)18(14-17)9-6-2/h10-14,25H,5-9H2,1-4H3,(H,23,24).
What are the key properties of N-[3-(4-ethoxy-3-propylphenyl)-2-hydroxy-5-propylphenyl]acetamide?
N-[3-(4-ethoxy-3-propylphenyl)-2-hydroxy-5-propylphenyl]acetamide has a molecular weight of 355.48 g/mol, XLogP of 5.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethoxy-3-propylphenyl)-2-hydroxy-5-propylphenyl]acetamide is sourced from PubChem (CID 122189658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).