2-(2-phenoxyanilino)-N-prop-2-enylacetamide

C17H18N2O2 — CID 108992999

IUPAC2-(2-phenoxyanilino)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CNc1ccccc1Oc1ccccc1
InChIInChI=1S/C17H18N2O2/c1-2-12-18-17(20)13-19-15-10-6-7-11-16(15)21-14-8-4-3-5-9-14/h2-11,19H,1,12-13H2,(H,18,20)
InChIKeyVFDGRSQJZWDJOB-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.19
Rot. Bonds7

About 2-(2-phenoxyanilino)-N-prop-2-enylacetamide

2-(2-phenoxyanilino)-N-prop-2-enylacetamide (PubChem CID 108992999) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-(2-phenoxyanilino)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(2-phenoxyanilino)-N-prop-2-enylacetamide
PubChem CID108992999
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2-(2-phenoxyanilino)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CNc1ccccc1Oc1ccccc1
InChIInChI=1S/C17H18N2O2/c1-2-12-18-17(20)13-19-15-10-6-7-11-16(15)21-14-8-4-3-5-9-14/h2-11,19H,1,12-13H2,(H,18,20)
InChIKeyVFDGRSQJZWDJOB-UHFFFAOYSA-N
XLogP3.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.19
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-(3-methylphenoxy)anilino]-N-prop-2-enylacetamide
CID 17393792
N-(2-phenoxyphenyl)-2-(prop-2-enylamino)acetamide
CID 78908251
N-(2-methoxyphenyl)-2-(2-phenoxyanilino)acetamide
CID 7922855
2-[(2-phenoxyacetyl)amino]-N-prop-2-enylacetamide
CID 2094904
2-(2-chloroanilino)-N-(2-phenoxyphenyl)acetamide
CID 9098717
N-[(3-methoxyphenyl)methyl]-2-(2-phenoxyanilino)acetamide
CID 31525744
2-(3-phenylmethoxyanilino)-N-prop-2-enylacetamide
CID 54826667
6-(2-phenoxyanilino)-N-prop-2-enylpyridine-3-carboxamide
CID 109151538
2-(2-phenoxyanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7922856
N-(2-phenoxyphenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide
CID 109180597
N-[2-oxo-2-(prop-2-enylamino)ethyl]-3-phenoxypropanamide
CID 112990545
2-(2-phenoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109296281

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxyanilino)-N-prop-2-enylacetamide?
The IUPAC name of 2-(2-phenoxyanilino)-N-prop-2-enylacetamide (CID 108992999) is 2-(2-phenoxyanilino)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(2-phenoxyanilino)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(2-phenoxyanilino)-N-prop-2-enylacetamide is C=CCNC(=O)CNc1ccccc1Oc1ccccc1.
What is the InChIKey of 2-(2-phenoxyanilino)-N-prop-2-enylacetamide?
The InChIKey is VFDGRSQJZWDJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-2-12-18-17(20)13-19-15-10-6-7-11-16(15)21-14-8-4-3-5-9-14/h2-11,19H,1,12-13H2,(H,18,20).
What are the key properties of 2-(2-phenoxyanilino)-N-prop-2-enylacetamide?
2-(2-phenoxyanilino)-N-prop-2-enylacetamide has a molecular weight of 282.34 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxyanilino)-N-prop-2-enylacetamide is sourced from PubChem (CID 108992999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).