(E)-3-(3,4-dimethoxyphenyl)-N-[(1S)-1-(furan-2-yl)ethyl]prop-2-enamide

C17H19NO4 — CID 9481703

IUPAC(E)-3-(3,4-dimethoxyphenyl)-N-[(1S)-1-(furan-2-yl)ethyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)N[C@@H](C)c2ccco2)cc1OC
InChIInChI=1S/C17H19NO4/c1-12(14-5-4-10-22-14)18-17(19)9-7-13-6-8-15(20-2)16(11-13)21-3/h4-12H,1-3H3,(H,18,19)/b9-7+/t12-/m0/s1
InChIKeyRTYQVQFJHGYGAL-CRALRDPISA-N
MW301.34 g/mol
LogP3.19
Rot. Bonds6

About (E)-3-(3,4-dimethoxyphenyl)-N-[(1S)-1-(furan-2-yl)ethyl]prop-2-enamide

(E)-3-(3,4-dimethoxyphenyl)-N-[(1S)-1-(furan-2-yl)ethyl]prop-2-enamide (PubChem CID 9481703) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is (E)-3-(3,4-dimethoxyphenyl)-N-[(1S)-1-(furan-2-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,4-dimethoxyphenyl)-N-[(1S)-1-(furan-2-yl)ethyl]prop-2-enamide
PubChem CID9481703
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name(E)-3-(3,4-dimethoxyphenyl)-N-[(1S)-1-(furan-2-yl)ethyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)N[C@@H](C)c2ccco2)cc1OC
InChIInChI=1S/C17H19NO4/c1-12(14-5-4-10-22-14)18-17(19)9-7-13-6-8-15(20-2)16(11-13)21-3/h4-12H,1-3H3,(H,18,19)/b9-7+/t12-/m0/s1
InChIKeyRTYQVQFJHGYGAL-CRALRDPISA-N
XLogP3.19
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-fluoro-4-methoxyphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]prop-2-enamide
CID 9482231
(E)-3-(3,4-dimethoxyphenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 92674332
3-(3,4-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide
CID 912467
(E)-N-[(1R)-1-(furan-2-yl)ethyl]-3-phenylprop-2-enamide
CID 8856139
(E)-3-(3,4-dimethoxyphenyl)-N-[1-(2-methylphenyl)ethyl]prop-2-enamide
CID 51149237
(E)-N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 8962900
(E)-N-[(2S)-butan-2-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 912474
(Z)-N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 94062807
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 78771438
2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-N-propylpropanamide
CID 46819652
(E)-3-(3,4-dimethoxyphenyl)-N-hydroxyprop-2-enamide
CID 6433880
3-(3,4-dimethoxyphenyl)-N-methylprop-2-enamide
CID 3618998

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-N-[(1S)-1-(furan-2-yl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-N-[(1S)-1-(furan-2-yl)ethyl]prop-2-enamide (CID 9481703) is (E)-3-(3,4-dimethoxyphenyl)-N-[(1S)-1-(furan-2-yl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3,4-dimethoxyphenyl)-N-[(1S)-1-(furan-2-yl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3,4-dimethoxyphenyl)-N-[(1S)-1-(furan-2-yl)ethyl]prop-2-enamide is COc1ccc(/C=C/C(=O)N[C@@H](C)c2ccco2)cc1OC.
What is the InChIKey of (E)-3-(3,4-dimethoxyphenyl)-N-[(1S)-1-(furan-2-yl)ethyl]prop-2-enamide?
The InChIKey is RTYQVQFJHGYGAL-CRALRDPISA-N. The full InChI is InChI=1S/C17H19NO4/c1-12(14-5-4-10-22-14)18-17(19)9-7-13-6-8-15(20-2)16(11-13)21-3/h4-12H,1-3H3,(H,18,19)/b9-7+/t12-/m0/s1.
What are the key properties of (E)-3-(3,4-dimethoxyphenyl)-N-[(1S)-1-(furan-2-yl)ethyl]prop-2-enamide?
(E)-3-(3,4-dimethoxyphenyl)-N-[(1S)-1-(furan-2-yl)ethyl]prop-2-enamide has a molecular weight of 301.34 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-dimethoxyphenyl)-N-[(1S)-1-(furan-2-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 9481703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).