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

C21H27NO4 — CID 17094764

IUPACN-(3-hexoxyphenyl)-2-(2-methoxyphenoxy)acetamide
SMILESCCCCCCOc1cccc(NC(=O)COc2ccccc2OC)c1
InChIInChI=1S/C21H27NO4/c1-3-4-5-8-14-25-18-11-9-10-17(15-18)22-21(23)16-26-20-13-7-6-12-19(20)24-2/h6-7,9-13,15H,3-5,8,14,16H2,1-2H3,(H,22,23)
InChIKeyRKGHVMHBPUGEFT-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.67
Rot. Bonds11

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

N-(3-hexoxyphenyl)-2-(2-methoxyphenoxy)acetamide (PubChem CID 17094764) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-(3-hexoxyphenyl)-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-hexoxyphenyl)-2-(2-methoxyphenoxy)acetamide
PubChem CID17094764
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC NameN-(3-hexoxyphenyl)-2-(2-methoxyphenoxy)acetamide
SMILESCCCCCCOc1cccc(NC(=O)COc2ccccc2OC)c1
InChIInChI=1S/C21H27NO4/c1-3-4-5-8-14-25-18-11-9-10-17(15-18)22-21(23)16-26-20-13-7-6-12-19(20)24-2/h6-7,9-13,15H,3-5,8,14,16H2,1-2H3,(H,22,23)
InChIKeyRKGHVMHBPUGEFT-UHFFFAOYSA-N
XLogP4.67
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 ≤ 54.67
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

N-(3-heptoxyphenyl)-2-(2-methylphenoxy)acetamide
CID 17138095
N-(3-hexoxyphenyl)-2-(2-methoxyanilino)acetamide
CID 54817265
N-(3-hexoxyphenyl)-2-(3-methylphenoxy)acetamide
CID 17094750
2-(3-pentoxyphenoxy)-N-phenylacetamide
CID 4733221
2-(3-ethylphenoxy)-N-(3-heptoxyphenyl)acetamide
CID 43912190
N-(2-methoxyphenyl)-2-(3-pentoxyphenoxy)acetamide
CID 4733241
2-(2-bromo-4-methylphenoxy)-N-(3-heptoxyphenyl)acetamide
CID 17138101
N,N'-bis(3-hexoxyphenyl)nonanediamide
CID 17094975
2-(2-methoxyphenoxy)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 17079559
butyl 3-[[2-(2-methoxyphenoxy)acetyl]amino]benzoate
CID 19165843
(3-hexoxyphenyl)urea
CID 102387253
2-(4-chloro-3-methylphenoxy)-N-(3-hexoxyphenyl)acetamide
CID 17094710

Frequently Asked Questions

What is the IUPAC name of N-(3-hexoxyphenyl)-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-(3-hexoxyphenyl)-2-(2-methoxyphenoxy)acetamide (CID 17094764) is N-(3-hexoxyphenyl)-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(3-hexoxyphenyl)-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-(3-hexoxyphenyl)-2-(2-methoxyphenoxy)acetamide is CCCCCCOc1cccc(NC(=O)COc2ccccc2OC)c1.
What is the InChIKey of N-(3-hexoxyphenyl)-2-(2-methoxyphenoxy)acetamide?
The InChIKey is RKGHVMHBPUGEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4/c1-3-4-5-8-14-25-18-11-9-10-17(15-18)22-21(23)16-26-20-13-7-6-12-19(20)24-2/h6-7,9-13,15H,3-5,8,14,16H2,1-2H3,(H,22,23).
What are the key properties of N-(3-hexoxyphenyl)-2-(2-methoxyphenoxy)acetamide?
N-(3-hexoxyphenyl)-2-(2-methoxyphenoxy)acetamide has a molecular weight of 357.45 g/mol, XLogP of 4.67, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hexoxyphenyl)-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 17094764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).