(Z)-N-ethyl-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide

C18H18N2O3 — CID 2296037

IUPAC(Z)-N-ethyl-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide
SMILESCCNC(=O)/C(=C/c1ccco1)NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C18H18N2O3/c1-2-19-18(22)16(13-15-9-6-12-23-15)20-17(21)11-10-14-7-4-3-5-8-14/h3-13H,2H2,1H3,(H,19,22)(H,20,21)/b11-10+,16-13-
InChIKeyPAMQTYKVKCWTCF-JLEYVSIISA-N
MW310.35 g/mol
LogP2.59
Rot. Bonds6

About (Z)-N-ethyl-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide

(Z)-N-ethyl-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide (PubChem CID 2296037) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is (Z)-N-ethyl-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-ethyl-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide
PubChem CID2296037
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name(Z)-N-ethyl-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide
SMILESCCNC(=O)/C(=C/c1ccco1)NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C18H18N2O3/c1-2-19-18(22)16(13-15-9-6-12-23-15)20-17(21)11-10-14-7-4-3-5-8-14/h3-13H,2H2,1H3,(H,19,22)(H,20,21)/b11-10+,16-13-
InChIKeyPAMQTYKVKCWTCF-JLEYVSIISA-N
XLogP2.59
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethyl-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide?
The IUPAC name of (Z)-N-ethyl-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide (CID 2296037) is (Z)-N-ethyl-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide.
What is the SMILES notation for (Z)-N-ethyl-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide?
The canonical SMILES for (Z)-N-ethyl-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide is CCNC(=O)/C(=C/c1ccco1)NC(=O)/C=C/c1ccccc1.
What is the InChIKey of (Z)-N-ethyl-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide?
The InChIKey is PAMQTYKVKCWTCF-JLEYVSIISA-N. The full InChI is InChI=1S/C18H18N2O3/c1-2-19-18(22)16(13-15-9-6-12-23-15)20-17(21)11-10-14-7-4-3-5-8-14/h3-13H,2H2,1H3,(H,19,22)(H,20,21)/b11-10+,16-13-.
What are the key properties of (Z)-N-ethyl-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide?
(Z)-N-ethyl-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide has a molecular weight of 310.35 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide is sourced from PubChem (CID 2296037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).