(E)-3-(furan-2-yl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide

C17H19NO3 — CID 9048389

IUPAC(E)-3-(furan-2-yl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide
SMILESCOc1ccc(C)cc1[C@@H](C)NC(=O)/C=C/c1ccco1
InChIInChI=1S/C17H19NO3/c1-12-6-8-16(20-3)15(11-12)13(2)18-17(19)9-7-14-5-4-10-21-14/h4-11,13H,1-3H3,(H,18,19)/b9-7+/t13-/m1/s1
InChIKeyULWWPLRDEZAPIF-BUUCAEBMSA-N
MW285.34 g/mol
LogP3.49
Rot. Bonds5

About (E)-3-(furan-2-yl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide

(E)-3-(furan-2-yl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide (PubChem CID 9048389) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide
PubChem CID9048389
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name(E)-3-(furan-2-yl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide
SMILESCOc1ccc(C)cc1[C@@H](C)NC(=O)/C=C/c1ccco1
InChIInChI=1S/C17H19NO3/c1-12-6-8-16(20-3)15(11-12)13(2)18-17(19)9-7-14-5-4-10-21-14/h4-11,13H,1-3H3,(H,18,19)/b9-7+/t13-/m1/s1
InChIKeyULWWPLRDEZAPIF-BUUCAEBMSA-N
XLogP3.49
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.49
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

3-(furan-2-yl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 4820314
(E)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
CID 124834120
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-methylbut-2-enamide
CID 47010076
(E)-3-(1,3-benzoxazol-2-yl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide
CID 51212482
(E)-3-(2,4-dimethoxyphenyl)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide
CID 9262378
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide
CID 9263046
methyl 2-[3-(furan-2-yl)prop-2-enoylamino]propanoate
CID 60637985
(E)-3-(3,4-dimethoxyphenyl)-N-[(1S)-1-(furan-2-yl)ethyl]prop-2-enamide
CID 9481703
3-(furan-2-yl)-N-(1-methoxypropan-2-yl)prop-2-enamide
CID 75619467
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide
CID 9262908
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide
CID 9262904
2,2,2-trifluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 62490240

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide (CID 9048389) is (E)-3-(furan-2-yl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide is COc1ccc(C)cc1[C@@H](C)NC(=O)/C=C/c1ccco1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide?
The InChIKey is ULWWPLRDEZAPIF-BUUCAEBMSA-N. The full InChI is InChI=1S/C17H19NO3/c1-12-6-8-16(20-3)15(11-12)13(2)18-17(19)9-7-14-5-4-10-21-14/h4-11,13H,1-3H3,(H,18,19)/b9-7+/t13-/m1/s1.
What are the key properties of (E)-3-(furan-2-yl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide?
(E)-3-(furan-2-yl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide has a molecular weight of 285.34 g/mol, XLogP of 3.49, 5 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-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide is sourced from PubChem (CID 9048389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).