2-amino-N-ethyl-N-(3-hydroxyphenyl)pent-4-enamide

C13H18N2O2 — CID 107734862

IUPAC2-amino-N-ethyl-N-(3-hydroxyphenyl)pent-4-enamide
SMILESC=CCC(N)C(=O)N(CC)c1cccc(O)c1
InChIInChI=1S/C13H18N2O2/c1-3-6-12(14)13(17)15(4-2)10-7-5-8-11(16)9-10/h3,5,7-9,12,16H,1,4,6,14H2,2H3
InChIKeyJGRFBWDFIBUFDR-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.65
Rot. Bonds5

About 2-amino-N-ethyl-N-(3-hydroxyphenyl)pent-4-enamide

2-amino-N-ethyl-N-(3-hydroxyphenyl)pent-4-enamide (PubChem CID 107734862) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-amino-N-ethyl-N-(3-hydroxyphenyl)pent-4-enamide.

Molecular Properties

Compound Name2-amino-N-ethyl-N-(3-hydroxyphenyl)pent-4-enamide
PubChem CID107734862
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-amino-N-ethyl-N-(3-hydroxyphenyl)pent-4-enamide
SMILESC=CCC(N)C(=O)N(CC)c1cccc(O)c1
InChIInChI=1S/C13H18N2O2/c1-3-6-12(14)13(17)15(4-2)10-7-5-8-11(16)9-10/h3,5,7-9,12,16H,1,4,6,14H2,2H3
InChIKeyJGRFBWDFIBUFDR-UHFFFAOYSA-N
XLogP1.65
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.65
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

(2S)-2-amino-N-ethyl-N-(3-hydroxyphenyl)-4-methylsulfanylbutanamide
CID 107734972
ethyl 2-amino-3-(N-ethyl-3-hydroxyanilino)-3-oxopropanoate
CID 107735006
6-amino-N-ethyl-N-(3-hydroxyphenyl)-2-methylheptanamide
CID 107734856
2-(aminomethyl)-N-ethyl-N-(3-hydroxyphenyl)pentanamide
CID 107734150
ethyl-(3-hydroxyphenyl)carbamic acid
CID 20544636
2-amino-N-ethyl-N-(3-hydroxyphenyl)acetamide
CID 107734970
(3-hydroxyphenyl)-prop-2-enylcarbamic acid
CID 70559245
(2S)-2-amino-N-(3-hydroxyphenyl)-N-methylbutanamide
CID 107734784
N-ethyl-N-(3-hydroxyphenyl)-3-methylbutanamide
CID 107736260
methyl N-ethyl-N-(3-hydroxyphenyl)carbamate
CID 107734186
propan-2-yl N-ethyl-N-(3-hydroxyphenyl)carbamate
CID 107734181
(2S)-2-amino-N-ethyl-3-methyl-N-(3-methylphenyl)butanamide
CID 22690792

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-N-(3-hydroxyphenyl)pent-4-enamide?
The IUPAC name of 2-amino-N-ethyl-N-(3-hydroxyphenyl)pent-4-enamide (CID 107734862) is 2-amino-N-ethyl-N-(3-hydroxyphenyl)pent-4-enamide.
What is the SMILES notation for 2-amino-N-ethyl-N-(3-hydroxyphenyl)pent-4-enamide?
The canonical SMILES for 2-amino-N-ethyl-N-(3-hydroxyphenyl)pent-4-enamide is C=CCC(N)C(=O)N(CC)c1cccc(O)c1.
What is the InChIKey of 2-amino-N-ethyl-N-(3-hydroxyphenyl)pent-4-enamide?
The InChIKey is JGRFBWDFIBUFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-3-6-12(14)13(17)15(4-2)10-7-5-8-11(16)9-10/h3,5,7-9,12,16H,1,4,6,14H2,2H3.
What are the key properties of 2-amino-N-ethyl-N-(3-hydroxyphenyl)pent-4-enamide?
2-amino-N-ethyl-N-(3-hydroxyphenyl)pent-4-enamide has a molecular weight of 234.30 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-N-(3-hydroxyphenyl)pent-4-enamide is sourced from PubChem (CID 107734862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).