3-(3,5-dimethylphenoxy)-N-[2-(ethylamino)ethyl]propanamide

C15H24N2O2 — CID 119507967

IUPAC3-(3,5-dimethylphenoxy)-N-[2-(ethylamino)ethyl]propanamide
SMILESCCNCCNC(=O)CCOc1cc(C)cc(C)c1
InChIInChI=1S/C15H24N2O2/c1-4-16-6-7-17-15(18)5-8-19-14-10-12(2)9-13(3)11-14/h9-11,16H,4-8H2,1-3H3,(H,17,18)
InChIKeyWXBJUFMPJBPEMQ-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.80
Rot. Bonds8

About 3-(3,5-dimethylphenoxy)-N-[2-(ethylamino)ethyl]propanamide

3-(3,5-dimethylphenoxy)-N-[2-(ethylamino)ethyl]propanamide (PubChem CID 119507967) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-(3,5-dimethylphenoxy)-N-[2-(ethylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethylphenoxy)-N-[2-(ethylamino)ethyl]propanamide
PubChem CID119507967
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-(3,5-dimethylphenoxy)-N-[2-(ethylamino)ethyl]propanamide
SMILESCCNCCNC(=O)CCOc1cc(C)cc(C)c1
InChIInChI=1S/C15H24N2O2/c1-4-16-6-7-17-15(18)5-8-19-14-10-12(2)9-13(3)11-14/h9-11,16H,4-8H2,1-3H3,(H,17,18)
InChIKeyWXBJUFMPJBPEMQ-UHFFFAOYSA-N
XLogP1.80
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(ethylamino)ethyl]-3-phenoxypropanamide;hydrochloride
CID 119506555
N-[2-(ethylamino)ethyl]-3-(4-methoxyphenoxy)propanamide;hydrochloride
CID 119505213
3-(3,5-dimethylphenoxy)-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120654017
3-(3,5-dimethylphenoxy)-N-ethylpropan-1-amine
CID 28878857
N-tert-butyl-3-(3,5-dimethylphenoxy)propanamide
CID 60731427
N-[2-(4-aminophenyl)ethyl]-3-(3,5-dimethylphenoxy)propanamide
CID 119548986
3-(3,5-dimethylphenoxy)-N-(2-hydroxypropyl)propanamide
CID 43418206
3-(3,5-dimethylphenoxy)propanehydrazide
CID 43244782
3-(3,5-dimethylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 119447863
N-[2-(ethylamino)ethyl]-3-methoxypropanamide
CID 62658774
N-ethyl-3-(3-methylphenoxy)propanamide
CID 2129235
N-[2-(methylamino)ethyl]-3-(3-methylphenoxy)propanamide
CID 62659653

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenoxy)-N-[2-(ethylamino)ethyl]propanamide?
The IUPAC name of 3-(3,5-dimethylphenoxy)-N-[2-(ethylamino)ethyl]propanamide (CID 119507967) is 3-(3,5-dimethylphenoxy)-N-[2-(ethylamino)ethyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethylphenoxy)-N-[2-(ethylamino)ethyl]propanamide?
The canonical SMILES for 3-(3,5-dimethylphenoxy)-N-[2-(ethylamino)ethyl]propanamide is CCNCCNC(=O)CCOc1cc(C)cc(C)c1.
What is the InChIKey of 3-(3,5-dimethylphenoxy)-N-[2-(ethylamino)ethyl]propanamide?
The InChIKey is WXBJUFMPJBPEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-16-6-7-17-15(18)5-8-19-14-10-12(2)9-13(3)11-14/h9-11,16H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 3-(3,5-dimethylphenoxy)-N-[2-(ethylamino)ethyl]propanamide?
3-(3,5-dimethylphenoxy)-N-[2-(ethylamino)ethyl]propanamide has a molecular weight of 264.37 g/mol, XLogP of 1.80, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenoxy)-N-[2-(ethylamino)ethyl]propanamide is sourced from PubChem (CID 119507967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).