N-(2-methoxyethoxy)-3-(3-methylphenoxy)propanamide

C13H19NO4 — CID 79676153

IUPACN-(2-methoxyethoxy)-3-(3-methylphenoxy)propanamide
SMILESCOCCONC(=O)CCOc1cccc(C)c1
InChIInChI=1S/C13H19NO4/c1-11-4-3-5-12(10-11)17-7-6-13(15)14-18-9-8-16-2/h3-5,10H,6-9H2,1-2H3,(H,14,15)
InChIKeyIUUQCPDQJLWIGJ-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.46
Rot. Bonds8

About N-(2-methoxyethoxy)-3-(3-methylphenoxy)propanamide

N-(2-methoxyethoxy)-3-(3-methylphenoxy)propanamide (PubChem CID 79676153) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-(2-methoxyethoxy)-3-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2-methoxyethoxy)-3-(3-methylphenoxy)propanamide
PubChem CID79676153
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC NameN-(2-methoxyethoxy)-3-(3-methylphenoxy)propanamide
SMILESCOCCONC(=O)CCOc1cccc(C)c1
InChIInChI=1S/C13H19NO4/c1-11-4-3-5-12(10-11)17-7-6-13(15)14-18-9-8-16-2/h3-5,10H,6-9H2,1-2H3,(H,14,15)
InChIKeyIUUQCPDQJLWIGJ-UHFFFAOYSA-N
XLogP1.46
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-(3-methylphenoxy)propanamide
CID 2129235
N-[2-(methylamino)ethyl]-3-(3-methylphenoxy)propanamide
CID 62659653
N'-acetyl-3-(3-methylphenoxy)propanehydrazide
CID 30905648
N-(2-methoxyethoxy)-4-(4-methylphenoxy)butanamide
CID 79676685
3-(2,3-dimethylphenoxy)-N-(2-methoxyethoxy)propanamide
CID 79675927
N-[(2S)-1-aminopropan-2-yl]-3-(3-methylphenoxy)propanamide;hydrochloride
CID 120508578
3-(3-methylphenoxy)-N-(1-phenylethyl)propanamide
CID 43006794
N-[2-(2-aminoethoxy)ethyl]-3-(3-methylphenoxy)propanamide
CID 63755365
1-hydroxy-4-(3-methylphenoxy)butan-2-one
CID 95437359
N,N-dimethyl-3-(3-methylphenoxy)propanamide
CID 60637097
N-(1-chloropropan-2-yl)-3-(3-methylphenoxy)propanamide
CID 114299616
N-(4-chlorophenyl)-3-(3-methylphenoxy)propanamide
CID 7965845

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethoxy)-3-(3-methylphenoxy)propanamide?
The IUPAC name of N-(2-methoxyethoxy)-3-(3-methylphenoxy)propanamide (CID 79676153) is N-(2-methoxyethoxy)-3-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-(2-methoxyethoxy)-3-(3-methylphenoxy)propanamide?
The canonical SMILES for N-(2-methoxyethoxy)-3-(3-methylphenoxy)propanamide is COCCONC(=O)CCOc1cccc(C)c1.
What is the InChIKey of N-(2-methoxyethoxy)-3-(3-methylphenoxy)propanamide?
The InChIKey is IUUQCPDQJLWIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-11-4-3-5-12(10-11)17-7-6-13(15)14-18-9-8-16-2/h3-5,10H,6-9H2,1-2H3,(H,14,15).
What are the key properties of N-(2-methoxyethoxy)-3-(3-methylphenoxy)propanamide?
N-(2-methoxyethoxy)-3-(3-methylphenoxy)propanamide has a molecular weight of 253.30 g/mol, XLogP of 1.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethoxy)-3-(3-methylphenoxy)propanamide is sourced from PubChem (CID 79676153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).