N-[2-(2,3-dimethoxyphenoxy)ethyl]pentanamide

C15H23NO4 — CID 113101902

IUPACN-[2-(2,3-dimethoxyphenoxy)ethyl]pentanamide
SMILESCCCCC(=O)NCCOc1cccc(OC)c1OC
InChIInChI=1S/C15H23NO4/c1-4-5-9-14(17)16-10-11-20-13-8-6-7-12(18-2)15(13)19-3/h6-8H,4-5,9-11H2,1-3H3,(H,16,17)
InChIKeyLXAXUHKILZOMNY-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.39
Rot. Bonds9

About N-[2-(2,3-dimethoxyphenoxy)ethyl]pentanamide

N-[2-(2,3-dimethoxyphenoxy)ethyl]pentanamide (PubChem CID 113101902) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is N-[2-(2,3-dimethoxyphenoxy)ethyl]pentanamide.

Molecular Properties

Compound NameN-[2-(2,3-dimethoxyphenoxy)ethyl]pentanamide
PubChem CID113101902
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC NameN-[2-(2,3-dimethoxyphenoxy)ethyl]pentanamide
SMILESCCCCC(=O)NCCOc1cccc(OC)c1OC
InChIInChI=1S/C15H23NO4/c1-4-5-9-14(17)16-10-11-20-13-8-6-7-12(18-2)15(13)19-3/h6-8H,4-5,9-11H2,1-3H3,(H,16,17)
InChIKeyLXAXUHKILZOMNY-UHFFFAOYSA-N
XLogP2.39
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.39
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

1-butyl-3-[2-(2,3-dimethoxyphenoxy)ethyl]urea
CID 112975433
N-[2-(2-methoxyphenoxy)ethyl]octadecanamide
CID 5113156
N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-phenylacetamide
CID 113101933
2-(2,3-dimethoxyphenoxy)-N-(3-methoxypropyl)acetamide
CID 112978341
2-(4-bromophenyl)-N-[2-(2,3-dimethoxyphenoxy)ethyl]acetamide
CID 113101961
N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-(3-fluorophenyl)acetamide
CID 113101954
4-(4-ethoxyphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide
CID 24819647
N-[2-(2,3-dimethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113101923
1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(4-ethylphenyl)urea
CID 112975521
N-[2-(2,3-dimethoxyphenoxy)ethyl]-3-methylbenzamide
CID 113101912
N-[2-(2,3-dimethoxyphenoxy)ethyl]furan-2-carboxamide
CID 113101908
1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(4-fluorophenyl)urea
CID 112975532

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethoxyphenoxy)ethyl]pentanamide?
The IUPAC name of N-[2-(2,3-dimethoxyphenoxy)ethyl]pentanamide (CID 113101902) is N-[2-(2,3-dimethoxyphenoxy)ethyl]pentanamide.
What is the SMILES notation for N-[2-(2,3-dimethoxyphenoxy)ethyl]pentanamide?
The canonical SMILES for N-[2-(2,3-dimethoxyphenoxy)ethyl]pentanamide is CCCCC(=O)NCCOc1cccc(OC)c1OC.
What is the InChIKey of N-[2-(2,3-dimethoxyphenoxy)ethyl]pentanamide?
The InChIKey is LXAXUHKILZOMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-4-5-9-14(17)16-10-11-20-13-8-6-7-12(18-2)15(13)19-3/h6-8H,4-5,9-11H2,1-3H3,(H,16,17).
What are the key properties of N-[2-(2,3-dimethoxyphenoxy)ethyl]pentanamide?
N-[2-(2,3-dimethoxyphenoxy)ethyl]pentanamide has a molecular weight of 281.35 g/mol, XLogP of 2.39, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethoxyphenoxy)ethyl]pentanamide is sourced from PubChem (CID 113101902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).