3-(furan-2-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide

C14H15NO3 — CID 102603432

IUPAC3-(furan-2-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide
SMILESCc1ccc(CN(C)C(=O)C=Cc2ccco2)o1
InChIInChI=1S/C14H15NO3/c1-11-5-6-13(18-11)10-15(2)14(16)8-7-12-4-3-9-17-12/h3-9H,10H2,1-2H3
InChIKeyULQMWYWPEJSHHY-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.85
Rot. Bonds4

About 3-(furan-2-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide

3-(furan-2-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide (PubChem CID 102603432) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide
PubChem CID102603432
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name3-(furan-2-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide
SMILESCc1ccc(CN(C)C(=O)C=Cc2ccco2)o1
InChIInChI=1S/C14H15NO3/c1-11-5-6-13(18-11)10-15(2)14(16)8-7-12-4-3-9-17-12/h3-9H,10H2,1-2H3
InChIKeyULQMWYWPEJSHHY-UHFFFAOYSA-N
XLogP2.85
TPSA46.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[[[(E)-3-(furan-2-yl)prop-2-enoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 75429253
3-[5-(2-fluorophenyl)furan-2-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide
CID 71944511
(E)-3-(furan-2-yl)-N,N-dimethylprop-2-enamide
CID 11480633
N-benzyl-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide
CID 713006
(E)-4-[furan-2-ylmethyl(methyl)amino]-4-oxobut-2-enoic acid
CID 39242195
(Z)-4-[furan-2-ylmethyl(methyl)amino]-4-oxobut-2-enoic acid
CID 91989672
3-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide
CID 75981221
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide
CID 56810298
(E)-3-(furan-2-yl)-N-methyl-N-(2-methylbutan-2-yl)prop-2-enamide
CID 70870521
(E)-3-(furan-2-yl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]prop-2-enamide
CID 75408174
(E)-N,N-dibenzyl-3-(furan-2-yl)prop-2-enamide
CID 790450
methyl-[(5-methylfuran-2-yl)methyl]carbamothioic S-acid
CID 115170193

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide?
The IUPAC name of 3-(furan-2-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide (CID 102603432) is 3-(furan-2-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide.
What is the SMILES notation for 3-(furan-2-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide?
The canonical SMILES for 3-(furan-2-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide is Cc1ccc(CN(C)C(=O)C=Cc2ccco2)o1.
What is the InChIKey of 3-(furan-2-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide?
The InChIKey is ULQMWYWPEJSHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-11-5-6-13(18-11)10-15(2)14(16)8-7-12-4-3-9-17-12/h3-9H,10H2,1-2H3.
What are the key properties of 3-(furan-2-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide?
3-(furan-2-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide has a molecular weight of 245.28 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide is sourced from PubChem (CID 102603432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).