N-(2-methoxyethoxy)-3-phenylpropanamide

C12H17NO3 — CID 79676400

IUPACN-(2-methoxyethoxy)-3-phenylpropanamide
SMILESCOCCONC(=O)CCc1ccccc1
InChIInChI=1S/C12H17NO3/c1-15-9-10-16-13-12(14)8-7-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,13,14)
InChIKeyOAHGSJOFTZRXJL-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.31
Rot. Bonds7

About N-(2-methoxyethoxy)-3-phenylpropanamide

N-(2-methoxyethoxy)-3-phenylpropanamide (PubChem CID 79676400) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is N-(2-methoxyethoxy)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(2-methoxyethoxy)-3-phenylpropanamide
PubChem CID79676400
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC NameN-(2-methoxyethoxy)-3-phenylpropanamide
SMILESCOCCONC(=O)CCc1ccccc1
InChIInChI=1S/C12H17NO3/c1-15-9-10-16-13-12(14)8-7-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,13,14)
InChIKeyOAHGSJOFTZRXJL-UHFFFAOYSA-N
XLogP1.31
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3-(4-fluorophenyl)-N-(2-methoxyethoxy)propanamide
CID 79676858
3-(2-hydroxyphenyl)-N-(2-methoxyethoxy)propanamide
CID 79675926
3-(3,4-difluorophenyl)-N-(2-methoxyethoxy)propanamide
CID 79676471
2-(2-methoxyethoxy)ethyl 3-phenylpropanoate
CID 70881793
N-(3-phenylpropoxy)heptanamide
CID 139933276
N-methoxy-3-(4-phenylphenyl)propanamide
CID 144913609
1-benzyl-3-(2-methoxyethoxy)urea
CID 110642709
N-[2-(3-methoxypropylamino)-2-oxoethyl]-3-phenylpropanamide
CID 112991215
methyl (2S,3R)-3-hydroxy-2-(3-phenylpropanoylamino)butanoate
CID 102464818
N-[(2S)-1-methoxy-3-methylbutan-2-yl]-3-phenylpropanamide
CID 56593002
methyl 2-(3-phenylpropanoylamino)acetate
CID 3927875
2-[2-(2-methoxyethoxyamino)-2-oxoethyl]benzoic acid
CID 104601734

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethoxy)-3-phenylpropanamide?
The IUPAC name of N-(2-methoxyethoxy)-3-phenylpropanamide (CID 79676400) is N-(2-methoxyethoxy)-3-phenylpropanamide.
What is the SMILES notation for N-(2-methoxyethoxy)-3-phenylpropanamide?
The canonical SMILES for N-(2-methoxyethoxy)-3-phenylpropanamide is COCCONC(=O)CCc1ccccc1.
What is the InChIKey of N-(2-methoxyethoxy)-3-phenylpropanamide?
The InChIKey is OAHGSJOFTZRXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-15-9-10-16-13-12(14)8-7-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,13,14).
What are the key properties of N-(2-methoxyethoxy)-3-phenylpropanamide?
N-(2-methoxyethoxy)-3-phenylpropanamide has a molecular weight of 223.27 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethoxy)-3-phenylpropanamide is sourced from PubChem (CID 79676400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).