N-[(2,5-dimethylfuran-3-yl)methyl]-3-phenylprop-2-enamide

C16H17NO2 — CID 71960718

IUPACN-[(2,5-dimethylfuran-3-yl)methyl]-3-phenylprop-2-enamide
SMILESCc1cc(CNC(=O)C=Cc2ccccc2)c(C)o1
InChIInChI=1S/C16H17NO2/c1-12-10-15(13(2)19-12)11-17-16(18)9-8-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyRKVWNTKRNPAVKR-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.23
Rot. Bonds4

About N-[(2,5-dimethylfuran-3-yl)methyl]-3-phenylprop-2-enamide

N-[(2,5-dimethylfuran-3-yl)methyl]-3-phenylprop-2-enamide (PubChem CID 71960718) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[(2,5-dimethylfuran-3-yl)methyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-[(2,5-dimethylfuran-3-yl)methyl]-3-phenylprop-2-enamide
PubChem CID71960718
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC NameN-[(2,5-dimethylfuran-3-yl)methyl]-3-phenylprop-2-enamide
SMILESCc1cc(CNC(=O)C=Cc2ccccc2)c(C)o1
InChIInChI=1S/C16H17NO2/c1-12-10-15(13(2)19-12)11-17-16(18)9-8-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyRKVWNTKRNPAVKR-UHFFFAOYSA-N
XLogP3.23
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.23
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

(E)-N-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-methylphenyl)prop-2-enamide
CID 86950496
(E)-N-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-methylsulfanylphenyl)prop-2-enamide
CID 71807011
(E)-3-(5-bromothiophen-3-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]prop-2-enamide
CID 86960833
(E)-N-[(2,5-dimethylfuran-3-yl)methyl]-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide
CID 86951546
(E)-N-[(2,5-dimethylfuran-3-yl)methyl]-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 86950525
(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
N-[2-(methylamino)ethyl]-3-phenylprop-2-enamide
CID 76948085
[(E)-3-phenylprop-2-enoyl]carbamic acid
CID 140993183
(Z)-N-[(2,5-dimethylfuran-3-yl)methyl]-3-(3-fluorophenyl)but-2-enamide
CID 86950457
(2R)-N-[(2,5-dimethylfuran-3-yl)methyl]-2-phenoxypropanamide
CID 95368385
N-[(2,5-dimethylfuran-3-yl)methyl]-4-methyl-3-phenylpentanamide
CID 86950294
(E)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-phenylprop-2-enamide
CID 41266696

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-3-phenylprop-2-enamide?
The IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-3-phenylprop-2-enamide (CID 71960718) is N-[(2,5-dimethylfuran-3-yl)methyl]-3-phenylprop-2-enamide.
What is the SMILES notation for N-[(2,5-dimethylfuran-3-yl)methyl]-3-phenylprop-2-enamide?
The canonical SMILES for N-[(2,5-dimethylfuran-3-yl)methyl]-3-phenylprop-2-enamide is Cc1cc(CNC(=O)C=Cc2ccccc2)c(C)o1.
What is the InChIKey of N-[(2,5-dimethylfuran-3-yl)methyl]-3-phenylprop-2-enamide?
The InChIKey is RKVWNTKRNPAVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-12-10-15(13(2)19-12)11-17-16(18)9-8-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,17,18).
What are the key properties of N-[(2,5-dimethylfuran-3-yl)methyl]-3-phenylprop-2-enamide?
N-[(2,5-dimethylfuran-3-yl)methyl]-3-phenylprop-2-enamide has a molecular weight of 255.32 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylfuran-3-yl)methyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 71960718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).