1-(4-ethoxyphenyl)-2-(prop-2-enylamino)propan-1-one

C14H19NO2 — CID 82100798

IUPAC1-(4-ethoxyphenyl)-2-(prop-2-enylamino)propan-1-one
SMILESC=CCNC(C)C(=O)c1ccc(OCC)cc1
InChIInChI=1S/C14H19NO2/c1-4-10-15-11(3)14(16)12-6-8-13(9-7-12)17-5-2/h4,6-9,11,15H,1,5,10H2,2-3H3
InChIKeyVQOLVVHTMBVZCM-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.43
Rot. Bonds7

About 1-(4-ethoxyphenyl)-2-(prop-2-enylamino)propan-1-one

1-(4-ethoxyphenyl)-2-(prop-2-enylamino)propan-1-one (PubChem CID 82100798) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2-(prop-2-enylamino)propan-1-one.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2-(prop-2-enylamino)propan-1-one
PubChem CID82100798
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(4-ethoxyphenyl)-2-(prop-2-enylamino)propan-1-one
SMILESC=CCNC(C)C(=O)c1ccc(OCC)cc1
InChIInChI=1S/C14H19NO2/c1-4-10-15-11(3)14(16)12-6-8-13(9-7-12)17-5-2/h4,6-9,11,15H,1,5,10H2,2-3H3
InChIKeyVQOLVVHTMBVZCM-UHFFFAOYSA-N
XLogP2.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-ethoxyphenyl)-4-oxo-3-(prop-2-enylamino)butanoic acid
CID 82322536
1-(4-ethoxyphenyl)-2-(2-methylpropylamino)propan-1-one
CID 82100788
1-(4-propan-2-ylphenyl)-2-(prop-2-enylamino)propan-1-one
CID 82100288
2-[2-(dimethylamino)ethylamino]-1-(4-ethoxyphenyl)propan-1-one
CID 82100821
2-(cyclopropylamino)-1-(4-ethoxyphenyl)propan-1-one
CID 82100823
1-(4-ethoxyphenyl)-2-(4-prop-2-enoxyphenyl)ethane-1,2-dione
CID 129074944
1-(4-ethoxyphenyl)-3-methyl-2-(methylamino)butan-1-one
CID 112512233
ethyl 4-(4-fluorophenyl)-4-oxo-3-(prop-2-enylamino)butanoate
CID 82322077
4-(4-ethoxyphenyl)-2,3-dimethyl-4-oxobutanoic acid
CID 79414442
2-(2-methoxyethylamino)-1-(4-propoxyphenyl)propan-1-one
CID 82100852
2-(butylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 82100874
4-ethoxy-N-(4-propan-2-ylphenyl)benzamide
CID 673574

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2-(prop-2-enylamino)propan-1-one?
The IUPAC name of 1-(4-ethoxyphenyl)-2-(prop-2-enylamino)propan-1-one (CID 82100798) is 1-(4-ethoxyphenyl)-2-(prop-2-enylamino)propan-1-one.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2-(prop-2-enylamino)propan-1-one?
The canonical SMILES for 1-(4-ethoxyphenyl)-2-(prop-2-enylamino)propan-1-one is C=CCNC(C)C(=O)c1ccc(OCC)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2-(prop-2-enylamino)propan-1-one?
The InChIKey is VQOLVVHTMBVZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-4-10-15-11(3)14(16)12-6-8-13(9-7-12)17-5-2/h4,6-9,11,15H,1,5,10H2,2-3H3.
What are the key properties of 1-(4-ethoxyphenyl)-2-(prop-2-enylamino)propan-1-one?
1-(4-ethoxyphenyl)-2-(prop-2-enylamino)propan-1-one has a molecular weight of 233.31 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2-(prop-2-enylamino)propan-1-one is sourced from PubChem (CID 82100798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).