N-(2-methoxyethyl)-3-(4-methylphenyl)propanamide

C13H19NO2 — CID 19220427

IUPACN-(2-methoxyethyl)-3-(4-methylphenyl)propanamide
SMILESCOCCNC(=O)CCc1ccc(C)cc1
InChIInChI=1S/C13H19NO2/c1-11-3-5-12(6-4-11)7-8-13(15)14-9-10-16-2/h3-6H,7-10H2,1-2H3,(H,14,15)
InChIKeyQOUUNRVBQGTZTE-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.69
Rot. Bonds6

About N-(2-methoxyethyl)-3-(4-methylphenyl)propanamide

N-(2-methoxyethyl)-3-(4-methylphenyl)propanamide (PubChem CID 19220427) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(4-methylphenyl)propanamide
PubChem CID19220427
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-(2-methoxyethyl)-3-(4-methylphenyl)propanamide
SMILESCOCCNC(=O)CCc1ccc(C)cc1
InChIInChI=1S/C13H19NO2/c1-11-3-5-12(6-4-11)7-8-13(15)14-9-10-16-2/h3-6H,7-10H2,1-2H3,(H,14,15)
InChIKeyQOUUNRVBQGTZTE-UHFFFAOYSA-N
XLogP1.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluorophenyl)-N-(2-methoxyethyl)propanamide
CID 70870353
N-(2-methoxyethyl)-3-(4-methylanilino)propanamide
CID 109015045
N-[2-(4-aminophenoxy)ethyl]-3-(4-methylphenyl)propanamide
CID 84816880
N-[2-(4-methylphenoxy)ethyl]-3-phenylpropanamide
CID 5227207
N-[2-[2-(diethylamino)ethoxy]ethyl]-3-(4-methylphenyl)propanamide
CID 110618477
N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
CID 24660004
3-(4-methylphenyl)-N-[2-(3-phenoxypropanoylamino)ethyl]propanamide
CID 108542327
3-(4-methylphenyl)-N-(3-phenoxypropyl)propanamide
CID 10803968
N-(4-chlorobutyl)-3-(4-methylphenyl)propanamide
CID 106845485
N-[2-(dimethylcarbamoylamino)ethyl]-3-(4-methylphenyl)propanamide
CID 108574246
2-[3-(4-methylphenyl)propanoylamino]ethyl hexa-2,4-dienoate
CID 72684756
N-[3-(dimethylamino)propyl]-3-(4-methylphenyl)propanamide
CID 110755343

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(4-methylphenyl)propanamide?
The IUPAC name of N-(2-methoxyethyl)-3-(4-methylphenyl)propanamide (CID 19220427) is N-(2-methoxyethyl)-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-(4-methylphenyl)propanamide is COCCNC(=O)CCc1ccc(C)cc1.
What is the InChIKey of N-(2-methoxyethyl)-3-(4-methylphenyl)propanamide?
The InChIKey is QOUUNRVBQGTZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-11-3-5-12(6-4-11)7-8-13(15)14-9-10-16-2/h3-6H,7-10H2,1-2H3,(H,14,15).
What are the key properties of N-(2-methoxyethyl)-3-(4-methylphenyl)propanamide?
N-(2-methoxyethyl)-3-(4-methylphenyl)propanamide has a molecular weight of 221.30 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 19220427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).