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

C12H17NO3 — CID 60717709

IUPACN-ethoxy-3-(2-methylphenoxy)propanamide
SMILESCCONC(=O)CCOc1ccccc1C
InChIInChI=1S/C12H17NO3/c1-3-16-13-12(14)8-9-15-11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3,(H,13,14)
InChIKeyVXGLYNUKKWCQOU-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.83
Rot. Bonds6

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

N-ethoxy-3-(2-methylphenoxy)propanamide (PubChem CID 60717709) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is N-ethoxy-3-(2-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-ethoxy-3-(2-methylphenoxy)propanamide
PubChem CID60717709
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC NameN-ethoxy-3-(2-methylphenoxy)propanamide
SMILESCCONC(=O)CCOc1ccccc1C
InChIInChI=1S/C12H17NO3/c1-3-16-13-12(14)8-9-15-11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3,(H,13,14)
InChIKeyVXGLYNUKKWCQOU-UHFFFAOYSA-N
XLogP1.83
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-(2-methylphenoxy)propanamide
CID 60637088
N-ethoxy-3-(2-methylphenyl)propanamide
CID 63290155
methyl 2-[3-(2-methylphenoxy)propanoylamino]propanoate
CID 60638161
3-(2,3-dimethylphenoxy)-N-(2-methoxyethoxy)propanamide
CID 79675927
N-[(2S)-1-hydroxybutan-2-yl]-3-(2-methylphenoxy)propanamide
CID 104981198
N-(2-ethylbutyl)-3-(2-methylphenoxy)propanamide
CID 115612578
N-[(2R)-1-hydroxypropan-2-yl]-3-(2-methylphenoxy)propanamide
CID 79027770
ethyl 2-[4-(2-methylphenoxy)butanoylamino]propanoate
CID 61343880
ethyl 4-[4-(2-methylphenoxy)butanoyl]piperazine-1-carboxylate
CID 108569168
4-[3-(2-methylphenoxy)propanoylamino]butanoic acid
CID 43239219
3-[3-(2-methylphenoxy)propanoylamino]butanoic acid
CID 43240704
N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide
CID 60675961

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-3-(2-methylphenoxy)propanamide?
The IUPAC name of N-ethoxy-3-(2-methylphenoxy)propanamide (CID 60717709) is N-ethoxy-3-(2-methylphenoxy)propanamide.
What is the SMILES notation for N-ethoxy-3-(2-methylphenoxy)propanamide?
The canonical SMILES for N-ethoxy-3-(2-methylphenoxy)propanamide is CCONC(=O)CCOc1ccccc1C.
What is the InChIKey of N-ethoxy-3-(2-methylphenoxy)propanamide?
The InChIKey is VXGLYNUKKWCQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-3-16-13-12(14)8-9-15-11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3,(H,13,14).
What are the key properties of N-ethoxy-3-(2-methylphenoxy)propanamide?
N-ethoxy-3-(2-methylphenoxy)propanamide has a molecular weight of 223.27 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-3-(2-methylphenoxy)propanamide is sourced from PubChem (CID 60717709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).