(E)-N-(2-ethylhexyl)-3-(furan-2-yl)prop-2-enamide

C15H23NO2 — CID 6382996

IUPAC(E)-N-(2-ethylhexyl)-3-(furan-2-yl)prop-2-enamide
SMILESCCCCC(CC)CNC(=O)/C=C/c1ccco1
InChIInChI=1S/C15H23NO2/c1-3-5-7-13(4-2)12-16-15(17)10-9-14-8-6-11-18-14/h6,8-11,13H,3-5,7,12H2,1-2H3,(H,16,17)/b10-9+
InChIKeyBMZJQCBIEOOSPQ-MDZDMXLPSA-N
MW249.35 g/mol
LogP3.63
Rot. Bonds8

About (E)-N-(2-ethylhexyl)-3-(furan-2-yl)prop-2-enamide

(E)-N-(2-ethylhexyl)-3-(furan-2-yl)prop-2-enamide (PubChem CID 6382996) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (E)-N-(2-ethylhexyl)-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-ethylhexyl)-3-(furan-2-yl)prop-2-enamide
PubChem CID6382996
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(E)-N-(2-ethylhexyl)-3-(furan-2-yl)prop-2-enamide
SMILESCCCCC(CC)CNC(=O)/C=C/c1ccco1
InChIInChI=1S/C15H23NO2/c1-3-5-7-13(4-2)12-16-15(17)10-9-14-8-6-11-18-14/h6,8-11,13H,3-5,7,12H2,1-2H3,(H,16,17)/b10-9+
InChIKeyBMZJQCBIEOOSPQ-MDZDMXLPSA-N
XLogP3.63
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(furan-2-yl)-N-hexylprop-2-enamide
CID 3705621
3-[3-(furan-2-yl)prop-2-enoylamino]-2-hydroxypropanoic acid
CID 77113675
(E)-3-(3-aminophenyl)-N-(2-ethylhexyl)prop-2-enamide
CID 115343618
(E)-N-(3,3-difluoro-2-hydroxypropyl)-3-(furan-2-yl)prop-2-enamide
CID 103769714
(E)-N-(2-ethylhexyl)but-2-enamide
CID 23335626
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
(E)-N-(2-ethylbutylsulfonyl)-3-(furan-2-yl)prop-2-enamide
CID 75407332
(E)-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-(furan-2-yl)prop-2-enamide
CID 103843523
N-(2-ethyl-2-hydroxybutyl)-3-(furan-2-yl)prop-2-enamide
CID 77056421
(2S)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]pentanoic acid
CID 107564277
(E)-3-(furan-2-yl)-N-(3-hydroxypropyl)prop-2-enamide
CID 43389898
3-(3,4-dimethoxyphenyl)-N-(2-ethylhexyl)prop-2-enamide
CID 3881543

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-ethylhexyl)-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(2-ethylhexyl)-3-(furan-2-yl)prop-2-enamide (CID 6382996) is (E)-N-(2-ethylhexyl)-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-ethylhexyl)-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-ethylhexyl)-3-(furan-2-yl)prop-2-enamide is CCCCC(CC)CNC(=O)/C=C/c1ccco1.
What is the InChIKey of (E)-N-(2-ethylhexyl)-3-(furan-2-yl)prop-2-enamide?
The InChIKey is BMZJQCBIEOOSPQ-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-5-7-13(4-2)12-16-15(17)10-9-14-8-6-11-18-14/h6,8-11,13H,3-5,7,12H2,1-2H3,(H,16,17)/b10-9+.
What are the key properties of (E)-N-(2-ethylhexyl)-3-(furan-2-yl)prop-2-enamide?
(E)-N-(2-ethylhexyl)-3-(furan-2-yl)prop-2-enamide has a molecular weight of 249.35 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-ethylhexyl)-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 6382996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).