2-(3-methylphenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide

C16H23NO3 — CID 115700160

IUPAC2-(3-methylphenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
SMILESC=C(C)COCCNC(=O)C(C)Oc1cccc(C)c1
InChIInChI=1S/C16H23NO3/c1-12(2)11-19-9-8-17-16(18)14(4)20-15-7-5-6-13(3)10-15/h5-7,10,14H,1,8-9,11H2,2-4H3,(H,17,18)
InChIKeyVOHPRDQMNNPMCG-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.47
Rot. Bonds8

About 2-(3-methylphenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide

2-(3-methylphenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide (PubChem CID 115700160) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
PubChem CID115700160
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-(3-methylphenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
SMILESC=C(C)COCCNC(=O)C(C)Oc1cccc(C)c1
InChIInChI=1S/C16H23NO3/c1-12(2)11-19-9-8-17-16(18)14(4)20-15-7-5-6-13(3)10-15/h5-7,10,14H,1,8-9,11H2,2-4H3,(H,17,18)
InChIKeyVOHPRDQMNNPMCG-UHFFFAOYSA-N
XLogP2.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-methylphenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-[2-(4-fluorophenoxy)ethyl]-2-(3-methylphenoxy)propanamide
CID 37363339
(2R)-N-[2-(2-methoxyphenoxy)ethyl]-2-(3-methylphenoxy)propanamide
CID 38451380
N-[2-(ethylamino)ethyl]-2-(3-methylphenoxy)propanamide
CID 119504615
N-[2-(2,3-dimethylphenoxy)ethyl]-2-(3-methylphenoxy)propanamide
CID 133165885
[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate
CID 8737838
[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate
CID 8737835
N-(2-amino-2-methylpropyl)-2-(3-methylphenoxy)propanamide
CID 119625770
(E)-3-(3-methylphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]prop-2-enamide
CID 115699968
(2S)-N-[(3-methylphenyl)methyl]-2-phenoxypropanamide
CID 38295049
N-[2-(3-methylphenoxy)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 133239821
2-(2-methoxyphenoxy)-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 133219180
2-(3-methylphenoxy)propanehydrazide
CID 3021693

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide (CID 115700160) is 2-(3-methylphenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide is C=C(C)COCCNC(=O)C(C)Oc1cccc(C)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide?
The InChIKey is VOHPRDQMNNPMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12(2)11-19-9-8-17-16(18)14(4)20-15-7-5-6-13(3)10-15/h5-7,10,14H,1,8-9,11H2,2-4H3,(H,17,18).
What are the key properties of 2-(3-methylphenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide?
2-(3-methylphenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide has a molecular weight of 277.36 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide is sourced from PubChem (CID 115700160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).