N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropanamide

C13H19NO3 — CID 113099759

IUPACN-[2-(2-methoxyphenoxy)ethyl]-2-methylpropanamide
SMILESCOc1ccccc1OCCNC(=O)C(C)C
InChIInChI=1S/C13H19NO3/c1-10(2)13(15)14-8-9-17-12-7-5-4-6-11(12)16-3/h4-7,10H,8-9H2,1-3H3,(H,14,15)
InChIKeyWCOGPHWJRPWSTL-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.85
Rot. Bonds6

About N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropanamide

N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropanamide (PubChem CID 113099759) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenoxy)ethyl]-2-methylpropanamide
PubChem CID113099759
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-[2-(2-methoxyphenoxy)ethyl]-2-methylpropanamide
SMILESCOc1ccccc1OCCNC(=O)C(C)C
InChIInChI=1S/C13H19NO3/c1-10(2)13(15)14-8-9-17-12-7-5-4-6-11(12)16-3/h4-7,10H,8-9H2,1-3H3,(H,14,15)
InChIKeyWCOGPHWJRPWSTL-UHFFFAOYSA-N
XLogP1.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.85
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-(2-fluorophenoxy)ethyl]-2-methylpropanamide
CID 110478459
N-[2-(2-bromophenoxy)ethyl]-2-methylpropanamide
CID 113099538
N-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)propanamide
CID 51157212
2-(3,4-dimethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]propanamide
CID 133211025
1-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)urea
CID 17171255
2-(2-ethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 44669949
2-(2-bromophenyl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 113099769
2-[2-(2-methoxyphenoxy)ethylamino]-N-propylpropanamide
CID 60676693
2-(2-chlorophenyl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 2520945
(2S)-2-(4-chlorophenoxy)-N-[2-(2-methoxyphenoxy)ethyl]propanamide
CID 92540063
(2R)-N-[2-(2-methoxyphenoxy)ethyl]-2-(3-methylphenoxy)propanamide
CID 38451380
(2R)-2-(4-chlorophenyl)sulfanyl-N-[2-(2-methoxyphenoxy)ethyl]propanamide
CID 92540065

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropanamide (CID 113099759) is N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropanamide is COc1ccccc1OCCNC(=O)C(C)C.
What is the InChIKey of N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropanamide?
The InChIKey is WCOGPHWJRPWSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-10(2)13(15)14-8-9-17-12-7-5-4-6-11(12)16-3/h4-7,10H,8-9H2,1-3H3,(H,14,15).
What are the key properties of N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropanamide?
N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropanamide has a molecular weight of 237.30 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropanamide is sourced from PubChem (CID 113099759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).