(E)-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-(furan-2-yl)prop-2-enamide

C14H21NO3 — CID 103843523

IUPAC(E)-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-(furan-2-yl)prop-2-enamide
SMILESCCC(CC)(CO)CNC(=O)/C=C/c1ccco1
InChIInChI=1S/C14H21NO3/c1-3-14(4-2,11-16)10-15-13(17)8-7-12-6-5-9-18-12/h5-9,16H,3-4,10-11H2,1-2H3,(H,15,17)/b8-7+
InChIKeyGMSSVOOVPRGMSS-BQYQJAHWSA-N
MW251.33 g/mol
LogP2.21
Rot. Bonds7

About (E)-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-(furan-2-yl)prop-2-enamide

(E)-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-(furan-2-yl)prop-2-enamide (PubChem CID 103843523) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is (E)-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-(furan-2-yl)prop-2-enamide
PubChem CID103843523
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name(E)-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-(furan-2-yl)prop-2-enamide
SMILESCCC(CC)(CO)CNC(=O)/C=C/c1ccco1
InChIInChI=1S/C14H21NO3/c1-3-14(4-2,11-16)10-15-13(17)8-7-12-6-5-9-18-12/h5-9,16H,3-4,10-11H2,1-2H3,(H,15,17)/b8-7+
InChIKeyGMSSVOOVPRGMSS-BQYQJAHWSA-N
XLogP2.21
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.21
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

N-(2-ethyl-2-hydroxybutyl)-3-(furan-2-yl)prop-2-enamide
CID 77056421
(E)-N-(2,2-difluoro-3-hydroxypropyl)-3-(furan-2-yl)prop-2-enamide
CID 104857087
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
(E)-3-(furan-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)prop-2-enamide
CID 75408048
(E)-3-(2,6-dichlorophenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]prop-2-enamide
CID 106252387
(E)-3-(furan-2-yl)-N-(3-hydroxypropyl)prop-2-enamide
CID 43389898
3-(furan-2-yl)-N-(2-hydroxy-2,5-dimethylhexyl)prop-2-enamide
CID 111486678
3-(furan-2-yl)-N-hexylprop-2-enamide
CID 3705621
(E)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(furan-2-yl)prop-2-enamide
CID 113322216
(E)-3-(3-aminophenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]prop-2-enamide
CID 106255530
(E)-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 103843443
(E)-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-pyridin-3-ylprop-2-enamide
CID 103843405

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-(furan-2-yl)prop-2-enamide (CID 103843523) is (E)-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-(furan-2-yl)prop-2-enamide is CCC(CC)(CO)CNC(=O)/C=C/c1ccco1.
What is the InChIKey of (E)-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-(furan-2-yl)prop-2-enamide?
The InChIKey is GMSSVOOVPRGMSS-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H21NO3/c1-3-14(4-2,11-16)10-15-13(17)8-7-12-6-5-9-18-12/h5-9,16H,3-4,10-11H2,1-2H3,(H,15,17)/b8-7+.
What are the key properties of (E)-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-(furan-2-yl)prop-2-enamide?
(E)-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-(furan-2-yl)prop-2-enamide has a molecular weight of 251.33 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 103843523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).