N-(3-hexoxyphenyl)-2-(3-methylphenoxy)acetamide

C21H27NO3 — CID 17094750

IUPACN-(3-hexoxyphenyl)-2-(3-methylphenoxy)acetamide
SMILESCCCCCCOc1cccc(NC(=O)COc2cccc(C)c2)c1
InChIInChI=1S/C21H27NO3/c1-3-4-5-6-13-24-20-12-8-10-18(15-20)22-21(23)16-25-19-11-7-9-17(2)14-19/h7-12,14-15H,3-6,13,16H2,1-2H3,(H,22,23)
InChIKeyMZPOJOOOVMRHMU-UHFFFAOYSA-N
MW341.45 g/mol
LogP4.97
Rot. Bonds10

About N-(3-hexoxyphenyl)-2-(3-methylphenoxy)acetamide

N-(3-hexoxyphenyl)-2-(3-methylphenoxy)acetamide (PubChem CID 17094750) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-(3-hexoxyphenyl)-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-hexoxyphenyl)-2-(3-methylphenoxy)acetamide
PubChem CID17094750
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC NameN-(3-hexoxyphenyl)-2-(3-methylphenoxy)acetamide
SMILESCCCCCCOc1cccc(NC(=O)COc2cccc(C)c2)c1
InChIInChI=1S/C21H27NO3/c1-3-4-5-6-13-24-20-12-8-10-18(15-20)22-21(23)16-25-19-11-7-9-17(2)14-19/h7-12,14-15H,3-6,13,16H2,1-2H3,(H,22,23)
InChIKeyMZPOJOOOVMRHMU-UHFFFAOYSA-N
XLogP4.97
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-hexoxyphenyl)-2-(3-methylphenoxy)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(3-ethylphenoxy)-N-(3-heptoxyphenyl)acetamide
CID 43912190
N-(3-heptoxyphenyl)-2-(2-methylphenoxy)acetamide
CID 17138095
2-(2-bromo-4-methylphenoxy)-N-(3-heptoxyphenyl)acetamide
CID 17138101
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
2-(4-chloro-3-methylphenoxy)-N-(3-hexoxyphenyl)acetamide
CID 17094710
2-(3-pentoxyphenoxy)-N-phenylacetamide
CID 4733221
N-(3-hexoxyphenyl)-2-(2-methoxyphenoxy)acetamide
CID 17094764
N-[3-[[2-(3-methylphenoxy)acetyl]amino]phenyl]propanamide
CID 883065
N,N'-bis(3-hexoxyphenyl)nonanediamide
CID 17094975
2-(ethylamino)-N-(3-hexoxyphenyl)acetamide
CID 54820702
N-(3-chloro-4-methylphenyl)-2-(3-hexoxyphenoxy)acetamide
CID 4733300
2-(4-bromo-3-methylphenoxy)-N-(3-butoxyphenyl)acetamide
CID 17095041

Frequently Asked Questions

What is the IUPAC name of N-(3-hexoxyphenyl)-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-(3-hexoxyphenyl)-2-(3-methylphenoxy)acetamide (CID 17094750) is N-(3-hexoxyphenyl)-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-(3-hexoxyphenyl)-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-(3-hexoxyphenyl)-2-(3-methylphenoxy)acetamide is CCCCCCOc1cccc(NC(=O)COc2cccc(C)c2)c1.
What is the InChIKey of N-(3-hexoxyphenyl)-2-(3-methylphenoxy)acetamide?
The InChIKey is MZPOJOOOVMRHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-3-4-5-6-13-24-20-12-8-10-18(15-20)22-21(23)16-25-19-11-7-9-17(2)14-19/h7-12,14-15H,3-6,13,16H2,1-2H3,(H,22,23).
What are the key properties of N-(3-hexoxyphenyl)-2-(3-methylphenoxy)acetamide?
N-(3-hexoxyphenyl)-2-(3-methylphenoxy)acetamide has a molecular weight of 341.45 g/mol, XLogP of 4.97, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hexoxyphenyl)-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 17094750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).