(E)-3-(furan-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)prop-2-enamide

C13H19NO3 — CID 75408048

IUPAC(E)-3-(furan-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)prop-2-enamide
SMILESCC(C)C(C)(O)CNC(=O)/C=C/c1ccco1
InChIInChI=1S/C13H19NO3/c1-10(2)13(3,16)9-14-12(15)7-6-11-5-4-8-17-11/h4-8,10,16H,9H2,1-3H3,(H,14,15)/b7-6+
InChIKeyHRAGVENSTOQXRN-VOTSOKGWSA-N
MW237.30 g/mol
LogP1.82
Rot. Bonds5

About (E)-3-(furan-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)prop-2-enamide

(E)-3-(furan-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)prop-2-enamide (PubChem CID 75408048) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)prop-2-enamide
PubChem CID75408048
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name(E)-3-(furan-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)prop-2-enamide
SMILESCC(C)C(C)(O)CNC(=O)/C=C/c1ccco1
InChIInChI=1S/C13H19NO3/c1-10(2)13(3,16)9-14-12(15)7-6-11-5-4-8-17-11/h4-8,10,16H,9H2,1-3H3,(H,14,15)/b7-6+
InChIKeyHRAGVENSTOQXRN-VOTSOKGWSA-N
XLogP1.82
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(furan-2-yl)-N-(2-hydroxy-2,5-dimethylhexyl)prop-2-enamide
CID 111486678
N-(2-ethyl-2-hydroxybutyl)-3-(furan-2-yl)prop-2-enamide
CID 77056421
(E)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(furan-2-yl)prop-2-enamide
CID 113322216
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
(E)-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-(furan-2-yl)prop-2-enamide
CID 103843523
(E)-3-(furan-2-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)prop-2-enamide
CID 75408131
(E)-N-(2,2-difluoro-3-hydroxypropyl)-3-(furan-2-yl)prop-2-enamide
CID 104857087
(E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 40658895
O-propan-2-yl N-[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioate
CID 102351235
3-[3-(furan-2-yl)prop-2-enoylamino]-2-hydroxypropanoic acid
CID 77113675
(E)-3-(furan-2-yl)-N-(3-hydroxypropyl)prop-2-enamide
CID 43389898
3-(furan-2-yl)-N-hexylprop-2-enamide
CID 3705621

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)prop-2-enamide (CID 75408048) is (E)-3-(furan-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)prop-2-enamide is CC(C)C(C)(O)CNC(=O)/C=C/c1ccco1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)prop-2-enamide?
The InChIKey is HRAGVENSTOQXRN-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H19NO3/c1-10(2)13(3,16)9-14-12(15)7-6-11-5-4-8-17-11/h4-8,10,16H,9H2,1-3H3,(H,14,15)/b7-6+.
What are the key properties of (E)-3-(furan-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)prop-2-enamide?
(E)-3-(furan-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)prop-2-enamide has a molecular weight of 237.30 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)prop-2-enamide is sourced from PubChem (CID 75408048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).