2-(3-ethylphenoxy)-N-(3-heptoxyphenyl)acetamide

C23H31NO3 — CID 43912190

IUPAC2-(3-ethylphenoxy)-N-(3-heptoxyphenyl)acetamide
SMILESCCCCCCCOc1cccc(NC(=O)COc2cccc(CC)c2)c1
InChIInChI=1S/C23H31NO3/c1-3-5-6-7-8-15-26-22-14-10-12-20(17-22)24-23(25)18-27-21-13-9-11-19(4-2)16-21/h9-14,16-17H,3-8,15,18H2,1-2H3,(H,24,25)
InChIKeyLNRBHNIKONBAME-UHFFFAOYSA-N
MW369.51 g/mol
LogP5.62
Rot. Bonds12

About 2-(3-ethylphenoxy)-N-(3-heptoxyphenyl)acetamide

2-(3-ethylphenoxy)-N-(3-heptoxyphenyl)acetamide (PubChem CID 43912190) has the molecular formula C23H31NO3 and a molecular weight of 369.51 g/mol. Its IUPAC name is 2-(3-ethylphenoxy)-N-(3-heptoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-ethylphenoxy)-N-(3-heptoxyphenyl)acetamide
PubChem CID43912190
Molecular FormulaC23H31NO3
Molecular Weight369.51 g/mol
Exact Mass369.23
IUPAC Name2-(3-ethylphenoxy)-N-(3-heptoxyphenyl)acetamide
SMILESCCCCCCCOc1cccc(NC(=O)COc2cccc(CC)c2)c1
InChIInChI=1S/C23H31NO3/c1-3-5-6-7-8-15-26-22-14-10-12-20(17-22)24-23(25)18-27-21-13-9-11-19(4-2)16-21/h9-14,16-17H,3-8,15,18H2,1-2H3,(H,24,25)
InChIKeyLNRBHNIKONBAME-UHFFFAOYSA-N
XLogP5.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.51
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hexoxyphenyl)-2-(3-methylphenoxy)acetamide
CID 17094750
2-(3-pentoxyphenoxy)-N-phenylacetamide
CID 4733221
N-(3-heptoxyphenyl)-2-(2-methylphenoxy)acetamide
CID 17138095
N-(3-hexoxyphenyl)-2-(2-methoxyphenoxy)acetamide
CID 17094764
N-[3-(bromomethyl)phenyl]-2-(4-hexadecoxyphenoxy)acetamide
CID 10053531
N,N'-bis(3-hexoxyphenyl)nonanediamide
CID 17094975
2-(4-chloro-3-methylphenoxy)-N-(3-hexoxyphenyl)acetamide
CID 17094710
2-(3-ethylphenoxy)-N-(3-fluorophenyl)acetamide
CID 2709979
2-(ethylamino)-N-(3-hexoxyphenyl)acetamide
CID 54820702
2-(3-bromophenoxy)-N-(3-ethylphenyl)acetamide
CID 7935227
2-(3-ethylphenoxy)-N-(4-hydroxyphenyl)acetamide
CID 51186827
3-[[2-(3-ethylphenoxy)acetyl]amino]-N-methylbenzamide
CID 31524865

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylphenoxy)-N-(3-heptoxyphenyl)acetamide?
The IUPAC name of 2-(3-ethylphenoxy)-N-(3-heptoxyphenyl)acetamide (CID 43912190) is 2-(3-ethylphenoxy)-N-(3-heptoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-ethylphenoxy)-N-(3-heptoxyphenyl)acetamide?
The canonical SMILES for 2-(3-ethylphenoxy)-N-(3-heptoxyphenyl)acetamide is CCCCCCCOc1cccc(NC(=O)COc2cccc(CC)c2)c1.
What is the InChIKey of 2-(3-ethylphenoxy)-N-(3-heptoxyphenyl)acetamide?
The InChIKey is LNRBHNIKONBAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO3/c1-3-5-6-7-8-15-26-22-14-10-12-20(17-22)24-23(25)18-27-21-13-9-11-19(4-2)16-21/h9-14,16-17H,3-8,15,18H2,1-2H3,(H,24,25).
What are the key properties of 2-(3-ethylphenoxy)-N-(3-heptoxyphenyl)acetamide?
2-(3-ethylphenoxy)-N-(3-heptoxyphenyl)acetamide has a molecular weight of 369.51 g/mol, XLogP of 5.62, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylphenoxy)-N-(3-heptoxyphenyl)acetamide is sourced from PubChem (CID 43912190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).