3-(furan-2-yl)-N-(1-methoxypropan-2-yl)prop-2-enamide

C11H15NO3 — CID 75619467

IUPAC3-(furan-2-yl)-N-(1-methoxypropan-2-yl)prop-2-enamide
SMILESCOCC(C)NC(=O)C=Cc1ccco1
InChIInChI=1S/C11H15NO3/c1-9(8-14-2)12-11(13)6-5-10-4-3-7-15-10/h3-7,9H,8H2,1-2H3,(H,12,13)
InChIKeyFXNTWYPNUQNGIZ-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.44
Rot. Bonds5

About 3-(furan-2-yl)-N-(1-methoxypropan-2-yl)prop-2-enamide

3-(furan-2-yl)-N-(1-methoxypropan-2-yl)prop-2-enamide (PubChem CID 75619467) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-(1-methoxypropan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-(1-methoxypropan-2-yl)prop-2-enamide
PubChem CID75619467
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name3-(furan-2-yl)-N-(1-methoxypropan-2-yl)prop-2-enamide
SMILESCOCC(C)NC(=O)C=Cc1ccco1
InChIInChI=1S/C11H15NO3/c1-9(8-14-2)12-11(13)6-5-10-4-3-7-15-10/h3-7,9H,8H2,1-2H3,(H,12,13)
InChIKeyFXNTWYPNUQNGIZ-UHFFFAOYSA-N
XLogP1.44
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[3-(furan-2-yl)prop-2-enoylamino]propanoate
CID 60637985
(E)-3-(furan-2-yl)-N-(3-methoxypropyl)prop-2-enamide
CID 6162293
3-(furan-2-yl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 4820314
(E)-3-(furan-2-yl)-N-(methoxymethoxy)prop-2-enamide
CID 110495553
(E)-3-(furan-2-yl)-N-(1-hydroxybutan-2-yl)prop-2-enamide
CID 43416620
(2S)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-propylpropanamide
CID 7581820
O-propan-2-yl N-[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioate
CID 102351235
(2S)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]pentanoic acid
CID 107564277
(E)-3-(furan-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]prop-2-enamide
CID 113246886
(E)-3-(furan-2-yl)-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]prop-2-enamide
CID 7936596
N-benzhydryl-3-(furan-2-yl)prop-2-enamide
CID 880414
3-(2,3-dichlorophenyl)-N-(1-methoxypropan-2-yl)prop-2-enamide
CID 75616541

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-(1-methoxypropan-2-yl)prop-2-enamide?
The IUPAC name of 3-(furan-2-yl)-N-(1-methoxypropan-2-yl)prop-2-enamide (CID 75619467) is 3-(furan-2-yl)-N-(1-methoxypropan-2-yl)prop-2-enamide.
What is the SMILES notation for 3-(furan-2-yl)-N-(1-methoxypropan-2-yl)prop-2-enamide?
The canonical SMILES for 3-(furan-2-yl)-N-(1-methoxypropan-2-yl)prop-2-enamide is COCC(C)NC(=O)C=Cc1ccco1.
What is the InChIKey of 3-(furan-2-yl)-N-(1-methoxypropan-2-yl)prop-2-enamide?
The InChIKey is FXNTWYPNUQNGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-9(8-14-2)12-11(13)6-5-10-4-3-7-15-10/h3-7,9H,8H2,1-2H3,(H,12,13).
What are the key properties of 3-(furan-2-yl)-N-(1-methoxypropan-2-yl)prop-2-enamide?
3-(furan-2-yl)-N-(1-methoxypropan-2-yl)prop-2-enamide has a molecular weight of 209.25 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-(1-methoxypropan-2-yl)prop-2-enamide is sourced from PubChem (CID 75619467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).