N-[2-(3-ethoxyphenoxy)ethyl]-2,2-dimethylpropanamide

C15H23NO3 — CID 113100569

IUPACN-[2-(3-ethoxyphenoxy)ethyl]-2,2-dimethylpropanamide
SMILESCCOc1cccc(OCCNC(=O)C(C)(C)C)c1
InChIInChI=1S/C15H23NO3/c1-5-18-12-7-6-8-13(11-12)19-10-9-16-14(17)15(2,3)4/h6-8,11H,5,9-10H2,1-4H3,(H,16,17)
InChIKeyMPTWWZLMKCUFGQ-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.63
Rot. Bonds6

About N-[2-(3-ethoxyphenoxy)ethyl]-2,2-dimethylpropanamide

N-[2-(3-ethoxyphenoxy)ethyl]-2,2-dimethylpropanamide (PubChem CID 113100569) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-[2-(3-ethoxyphenoxy)ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(3-ethoxyphenoxy)ethyl]-2,2-dimethylpropanamide
PubChem CID113100569
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-[2-(3-ethoxyphenoxy)ethyl]-2,2-dimethylpropanamide
SMILESCCOc1cccc(OCCNC(=O)C(C)(C)C)c1
InChIInChI=1S/C15H23NO3/c1-5-18-12-7-6-8-13(11-12)19-10-9-16-14(17)15(2,3)4/h6-8,11H,5,9-10H2,1-4H3,(H,16,17)
InChIKeyMPTWWZLMKCUFGQ-UHFFFAOYSA-N
XLogP2.63
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.63
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-[2-(3-ethoxyphenoxy)ethyl]propanamide
CID 113100561
1-butyl-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112972940
2,2-dimethyl-N-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]propanamide
CID 31326707
N-[2-(3-ethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113100586
N-[2-(3-aminophenoxy)ethyl]-2,2-dimethylbutanamide
CID 62679121
N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanamide
CID 94421928
1-cyclopropyl-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112972938
2-bromo-N-[2-(3-ethoxyphenoxy)ethyl]benzamide
CID 113100580
N-[2-(3-ethoxyphenoxy)ethyl]-4-methylpiperazine-1-carboxamide
CID 112972956
methyl 2-amino-5-(3-ethoxyphenoxy)-2-methylpentanoate
CID 62336916
2,2-dimethyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]propanamide
CID 113101539
N-[2-(3-ethoxyphenoxy)ethyl]-2-(2-fluorophenyl)acetamide
CID 113100619

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethoxyphenoxy)ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(3-ethoxyphenoxy)ethyl]-2,2-dimethylpropanamide (CID 113100569) is N-[2-(3-ethoxyphenoxy)ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(3-ethoxyphenoxy)ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(3-ethoxyphenoxy)ethyl]-2,2-dimethylpropanamide is CCOc1cccc(OCCNC(=O)C(C)(C)C)c1.
What is the InChIKey of N-[2-(3-ethoxyphenoxy)ethyl]-2,2-dimethylpropanamide?
The InChIKey is MPTWWZLMKCUFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-18-12-7-6-8-13(11-12)19-10-9-16-14(17)15(2,3)4/h6-8,11H,5,9-10H2,1-4H3,(H,16,17).
What are the key properties of N-[2-(3-ethoxyphenoxy)ethyl]-2,2-dimethylpropanamide?
N-[2-(3-ethoxyphenoxy)ethyl]-2,2-dimethylpropanamide has a molecular weight of 265.35 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethoxyphenoxy)ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 113100569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).