(E)-3-(2-methoxyphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]prop-2-enamide

C17H19NO3 — CID 78798391

IUPAC(E)-3-(2-methoxyphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)NC(C)c1ccc(C)o1
InChIInChI=1S/C17H19NO3/c1-12-8-10-15(21-12)13(2)18-17(19)11-9-14-6-4-5-7-16(14)20-3/h4-11,13H,1-3H3,(H,18,19)/b11-9+
InChIKeyKLJHPEOIKHRXAK-PKNBQFBNSA-N
MW285.34 g/mol
LogP3.49
Rot. Bonds5

About (E)-3-(2-methoxyphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]prop-2-enamide

(E)-3-(2-methoxyphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]prop-2-enamide (PubChem CID 78798391) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is (E)-3-(2-methoxyphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-methoxyphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]prop-2-enamide
PubChem CID78798391
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name(E)-3-(2-methoxyphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)NC(C)c1ccc(C)o1
InChIInChI=1S/C17H19NO3/c1-12-8-10-15(21-12)13(2)18-17(19)11-9-14-6-4-5-7-16(14)20-3/h4-11,13H,1-3H3,(H,18,19)/b11-9+
InChIKeyKLJHPEOIKHRXAK-PKNBQFBNSA-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

(E)-3-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 26618934
(E)-3-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 26618935
(E)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 92672766
(E)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 28580052
(E)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 92682297
ethyl 2-[3-(2-methoxyphenyl)prop-2-enoylamino]propanoate
CID 76898175
(2R)-2-[3-(2-methoxyphenyl)prop-2-enoylamino]-3-methylbutanoic acid
CID 79011008
(E)-3-(2-methoxyphenyl)-N-[(2R)-2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 40648014
(E)-3-(2,5-dimethoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 51144624
N-hydroxy-3-(2-methoxyphenyl)prop-2-enamide
CID 123173944
2-(2-methoxyphenoxy)-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]acetamide
CID 31001904
(E)-3-(2-methoxyphenyl)-N-[1-(2-methylphenoxy)propan-2-yl]prop-2-enamide
CID 132651000

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-methoxyphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-methoxyphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]prop-2-enamide (CID 78798391) is (E)-3-(2-methoxyphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-methoxyphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-methoxyphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]prop-2-enamide is COc1ccccc1/C=C/C(=O)NC(C)c1ccc(C)o1.
What is the InChIKey of (E)-3-(2-methoxyphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]prop-2-enamide?
The InChIKey is KLJHPEOIKHRXAK-PKNBQFBNSA-N. The full InChI is InChI=1S/C17H19NO3/c1-12-8-10-15(21-12)13(2)18-17(19)11-9-14-6-4-5-7-16(14)20-3/h4-11,13H,1-3H3,(H,18,19)/b11-9+.
What are the key properties of (E)-3-(2-methoxyphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]prop-2-enamide?
(E)-3-(2-methoxyphenyl)-N-[1-(5-methylfuran-2-yl)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-(2-methoxyphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 78798391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).