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

C11H15NO3 — CID 6162293

IUPAC(E)-3-(furan-2-yl)-N-(3-methoxypropyl)prop-2-enamide
SMILESCOCCCNC(=O)/C=C/c1ccco1
InChIInChI=1S/C11H15NO3/c1-14-8-3-7-12-11(13)6-5-10-4-2-9-15-10/h2,4-6,9H,3,7-8H2,1H3,(H,12,13)/b6-5+
InChIKeySPPPYBOWTMXZBX-AATRIKPKSA-N
MW209.25 g/mol
LogP1.45
Rot. Bonds6

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

(E)-3-(furan-2-yl)-N-(3-methoxypropyl)prop-2-enamide (PubChem CID 6162293) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-(3-methoxypropyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-(3-methoxypropyl)prop-2-enamide
PubChem CID6162293
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name(E)-3-(furan-2-yl)-N-(3-methoxypropyl)prop-2-enamide
SMILESCOCCCNC(=O)/C=C/c1ccco1
InChIInChI=1S/C11H15NO3/c1-14-8-3-7-12-11(13)6-5-10-4-2-9-15-10/h2,4-6,9H,3,7-8H2,1H3,(H,12,13)/b6-5+
InChIKeySPPPYBOWTMXZBX-AATRIKPKSA-N
XLogP1.45
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.45
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-hydroxypropyl)prop-2-enamide
CID 43389898
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
(E)-3-(furan-2-yl)-N-[3-(1-phenylethoxy)propyl]prop-2-enamide
CID 46557135
5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]pentanoic acid
CID 62033778
(E)-3-(furan-2-yl)-N-[3-(2,3,5-trimethylphenoxy)propyl]prop-2-enamide
CID 9482537
6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-methylhexanamide
CID 59509588
(E)-N-[2-(3,4-dimethylphenoxy)ethyl]-3-(furan-2-yl)prop-2-enamide
CID 5291630
3-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 963759
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
3-(furan-2-yl)-N-(1-methoxypropan-2-yl)prop-2-enamide
CID 75619467
(E)-3-(furan-2-yl)-N-pent-3-ynylprop-2-enamide
CID 115979782

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-(3-methoxypropyl)prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-(3-methoxypropyl)prop-2-enamide (CID 6162293) is (E)-3-(furan-2-yl)-N-(3-methoxypropyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-(3-methoxypropyl)prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-(3-methoxypropyl)prop-2-enamide is COCCCNC(=O)/C=C/c1ccco1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-(3-methoxypropyl)prop-2-enamide?
The InChIKey is SPPPYBOWTMXZBX-AATRIKPKSA-N. The full InChI is InChI=1S/C11H15NO3/c1-14-8-3-7-12-11(13)6-5-10-4-2-9-15-10/h2,4-6,9H,3,7-8H2,1H3,(H,12,13)/b6-5+.
What are the key properties of (E)-3-(furan-2-yl)-N-(3-methoxypropyl)prop-2-enamide?
(E)-3-(furan-2-yl)-N-(3-methoxypropyl)prop-2-enamide has a molecular weight of 209.25 g/mol, XLogP of 1.45, 6 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-methoxypropyl)prop-2-enamide is sourced from PubChem (CID 6162293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).