2-[2-(3-methylphenoxy)anilino]-N-prop-2-enylacetamide

C18H20N2O2 — CID 17393792

IUPAC2-[2-(3-methylphenoxy)anilino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CNc1ccccc1Oc1cccc(C)c1
InChIInChI=1S/C18H20N2O2/c1-3-11-19-18(21)13-20-16-9-4-5-10-17(16)22-15-8-6-7-14(2)12-15/h3-10,12,20H,1,11,13H2,2H3,(H,19,21)
InChIKeyZSVBHYKEYOCDMK-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.50
Rot. Bonds7

About 2-[2-(3-methylphenoxy)anilino]-N-prop-2-enylacetamide

2-[2-(3-methylphenoxy)anilino]-N-prop-2-enylacetamide (PubChem CID 17393792) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[2-(3-methylphenoxy)anilino]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[2-(3-methylphenoxy)anilino]-N-prop-2-enylacetamide
PubChem CID17393792
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-[2-(3-methylphenoxy)anilino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CNc1ccccc1Oc1cccc(C)c1
InChIInChI=1S/C18H20N2O2/c1-3-11-19-18(21)13-20-16-9-4-5-10-17(16)22-15-8-6-7-14(2)12-15/h3-10,12,20H,1,11,13H2,2H3,(H,19,21)
InChIKeyZSVBHYKEYOCDMK-UHFFFAOYSA-N
XLogP3.50
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-phenoxyanilino)-N-prop-2-enylacetamide
CID 108992999
2-(2,4-dimethylanilino)-N-prop-2-enylacetamide
CID 39243861
2-amino-N-[2-(3-methylphenoxy)phenyl]acetamide
CID 61260248
N-(2-phenoxyphenyl)-2-(prop-2-enylamino)acetamide
CID 78908251
2-[[(2S)-1-hydroxypentan-2-yl]amino]-N-[2-(3-methylphenoxy)phenyl]acetamide
CID 59062971
2-(3-phenylmethoxyanilino)-N-prop-2-enylacetamide
CID 54826667
2-[3-(2-methylpropoxy)anilino]-N-prop-2-enylacetamide
CID 54823925
N-[(3-methoxyphenyl)methyl]-2-(2-phenoxyanilino)acetamide
CID 31525744
4-amino-N-[2-(3-methylphenoxy)phenyl]pentanamide;hydrochloride
CID 120558964
N-(2-methoxyphenyl)-2-(2-phenoxyanilino)acetamide
CID 7922855
(2R)-2-amino-N-[2-(3-methylphenoxy)phenyl]propanamide
CID 78973374
2-(3-phenoxyphenoxy)-N-prop-2-enylacetamide
CID 2681751

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylphenoxy)anilino]-N-prop-2-enylacetamide?
The IUPAC name of 2-[2-(3-methylphenoxy)anilino]-N-prop-2-enylacetamide (CID 17393792) is 2-[2-(3-methylphenoxy)anilino]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[2-(3-methylphenoxy)anilino]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[2-(3-methylphenoxy)anilino]-N-prop-2-enylacetamide is C=CCNC(=O)CNc1ccccc1Oc1cccc(C)c1.
What is the InChIKey of 2-[2-(3-methylphenoxy)anilino]-N-prop-2-enylacetamide?
The InChIKey is ZSVBHYKEYOCDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-3-11-19-18(21)13-20-16-9-4-5-10-17(16)22-15-8-6-7-14(2)12-15/h3-10,12,20H,1,11,13H2,2H3,(H,19,21).
What are the key properties of 2-[2-(3-methylphenoxy)anilino]-N-prop-2-enylacetamide?
2-[2-(3-methylphenoxy)anilino]-N-prop-2-enylacetamide has a molecular weight of 296.37 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylphenoxy)anilino]-N-prop-2-enylacetamide is sourced from PubChem (CID 17393792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).