(E)-3-(furan-2-yl)-N-[3-(1-phenylethoxy)propyl]prop-2-enamide

C18H21NO3 — CID 46557135

IUPAC(E)-3-(furan-2-yl)-N-[3-(1-phenylethoxy)propyl]prop-2-enamide
SMILESCC(OCCCNC(=O)/C=C/c1ccco1)c1ccccc1
InChIInChI=1S/C18H21NO3/c1-15(16-7-3-2-4-8-16)21-14-6-12-19-18(20)11-10-17-9-5-13-22-17/h2-5,7-11,13,15H,6,12,14H2,1H3,(H,19,20)/b11-10+
InChIKeyVSCROJSHXCBOMW-ZHACJKMWSA-N
MW299.37 g/mol
LogP3.58
Rot. Bonds8

About (E)-3-(furan-2-yl)-N-[3-(1-phenylethoxy)propyl]prop-2-enamide

(E)-3-(furan-2-yl)-N-[3-(1-phenylethoxy)propyl]prop-2-enamide (PubChem CID 46557135) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[3-(1-phenylethoxy)propyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[3-(1-phenylethoxy)propyl]prop-2-enamide
PubChem CID46557135
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name(E)-3-(furan-2-yl)-N-[3-(1-phenylethoxy)propyl]prop-2-enamide
SMILESCC(OCCCNC(=O)/C=C/c1ccco1)c1ccccc1
InChIInChI=1S/C18H21NO3/c1-15(16-7-3-2-4-8-16)21-14-6-12-19-18(20)11-10-17-9-5-13-22-17/h2-5,7-11,13,15H,6,12,14H2,1H3,(H,19,20)/b11-10+
InChIKeyVSCROJSHXCBOMW-ZHACJKMWSA-N
XLogP3.58
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(furan-2-yl)-N-(3-methoxypropyl)prop-2-enamide
CID 6162293
(E)-3-(furan-2-yl)-N-(3-hydroxypropyl)prop-2-enamide
CID 43389898
5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]pentanoic acid
CID 62033778
3-(furan-2-yl)-N-hexylprop-2-enamide
CID 3705621
(E)-3-(furan-2-yl)-N-[3-(3-methylphenoxy)propyl]prop-2-enamide
CID 24533349
N-[1-oxo-1-[3-(1-phenylethoxy)propylamino]propan-2-yl]furan-2-carboxamide
CID 46536778
(E)-3-(furan-2-yl)-N-[3-(2,3,5-trimethylphenoxy)propyl]prop-2-enamide
CID 9482537
(E)-3-(furan-2-yl)-N-(5-hydroxy-3-phenylpentyl)prop-2-enamide
CID 121112127
(E)-3-(furan-2-yl)-N-(2-phenylethyl)prop-2-enamide
CID 790283
(E)-3-(3-fluoro-4-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]prop-2-enamide
CID 24678076
6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-methylhexanamide
CID 59509588
(E)-3-(7-chloro-1,3-benzodioxol-5-yl)-N-[3-(1-phenylethoxy)propyl]prop-2-enamide
CID 24678064

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-[3-(1-phenylethoxy)propyl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-[3-(1-phenylethoxy)propyl]prop-2-enamide (CID 46557135) is (E)-3-(furan-2-yl)-N-[3-(1-phenylethoxy)propyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[3-(1-phenylethoxy)propyl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[3-(1-phenylethoxy)propyl]prop-2-enamide is CC(OCCCNC(=O)/C=C/c1ccco1)c1ccccc1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[3-(1-phenylethoxy)propyl]prop-2-enamide?
The InChIKey is VSCROJSHXCBOMW-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H21NO3/c1-15(16-7-3-2-4-8-16)21-14-6-12-19-18(20)11-10-17-9-5-13-22-17/h2-5,7-11,13,15H,6,12,14H2,1H3,(H,19,20)/b11-10+.
What are the key properties of (E)-3-(furan-2-yl)-N-[3-(1-phenylethoxy)propyl]prop-2-enamide?
(E)-3-(furan-2-yl)-N-[3-(1-phenylethoxy)propyl]prop-2-enamide has a molecular weight of 299.37 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-[3-(1-phenylethoxy)propyl]prop-2-enamide is sourced from PubChem (CID 46557135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).