(E)-3-(5-methylfuran-2-yl)-N-[[(1R,5R)-1,3,3-trimethyl-5-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]cyclohexyl]methyl]prop-2-enamide

C26H34N2O4 — CID 27528633

IUPAC(E)-3-(5-methylfuran-2-yl)-N-[[(1R,5R)-1,3,3-trimethyl-5-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]cyclohexyl]methyl]prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NC[C@@]2(C)C[C@H](NC(=O)/C=C/c3ccc(C)o3)CC(C)(C)C2)o1
InChIInChI=1S/C26H34N2O4/c1-18-6-8-21(31-18)10-12-23(29)27-17-26(5)15-20(14-25(3,4)16-26)28-24(30)13-11-22-9-7-19(2)32-22/h6-13,20H,14-17H2,1-5H3,(H,27,29)(H,28,30)/b12-10+,13-11+/t20-,26+/m1/s1
InChIKeyFKJSNQKYYVGFEG-PNAZTGMHSA-N
MW438.57 g/mol
LogP5.03
Rot. Bonds7

About (E)-3-(5-methylfuran-2-yl)-N-[[(1R,5R)-1,3,3-trimethyl-5-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]cyclohexyl]methyl]prop-2-enamide

(E)-3-(5-methylfuran-2-yl)-N-[[(1R,5R)-1,3,3-trimethyl-5-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]cyclohexyl]methyl]prop-2-enamide (PubChem CID 27528633) has the molecular formula C26H34N2O4 and a molecular weight of 438.57 g/mol. Its IUPAC name is (E)-3-(5-methylfuran-2-yl)-N-[[(1R,5R)-1,3,3-trimethyl-5-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]cyclohexyl]methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-methylfuran-2-yl)-N-[[(1R,5R)-1,3,3-trimethyl-5-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]cyclohexyl]methyl]prop-2-enamide
PubChem CID27528633
Molecular FormulaC26H34N2O4
Molecular Weight438.57 g/mol
Exact Mass438.25
IUPAC Name(E)-3-(5-methylfuran-2-yl)-N-[[(1R,5R)-1,3,3-trimethyl-5-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]cyclohexyl]methyl]prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NC[C@@]2(C)C[C@H](NC(=O)/C=C/c3ccc(C)o3)CC(C)(C)C2)o1
InChIInChI=1S/C26H34N2O4/c1-18-6-8-21(31-18)10-12-23(29)27-17-26(5)15-20(14-25(3,4)16-26)28-24(30)13-11-22-9-7-19(2)32-22/h6-13,20H,14-17H2,1-5H3,(H,27,29)(H,28,30)/b12-10+,13-11+/t20-,26+/m1/s1
InChIKeyFKJSNQKYYVGFEG-PNAZTGMHSA-N
XLogP5.03
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.57
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-(5-methylfuran-2-yl)-N-[[(1R,5R)-1,3,3-trimethyl-5-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]cyclohexyl]methyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-methylfuran-2-yl)-N-[[(1R,5R)-1,3,3-trimethyl-5-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]cyclohexyl]methyl]prop-2-enamide?
The IUPAC name of (E)-3-(5-methylfuran-2-yl)-N-[[(1R,5R)-1,3,3-trimethyl-5-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]cyclohexyl]methyl]prop-2-enamide (CID 27528633) is (E)-3-(5-methylfuran-2-yl)-N-[[(1R,5R)-1,3,3-trimethyl-5-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]cyclohexyl]methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(5-methylfuran-2-yl)-N-[[(1R,5R)-1,3,3-trimethyl-5-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]cyclohexyl]methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(5-methylfuran-2-yl)-N-[[(1R,5R)-1,3,3-trimethyl-5-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]cyclohexyl]methyl]prop-2-enamide is Cc1ccc(/C=C/C(=O)NC[C@@]2(C)C[C@H](NC(=O)/C=C/c3ccc(C)o3)CC(C)(C)C2)o1.
What is the InChIKey of (E)-3-(5-methylfuran-2-yl)-N-[[(1R,5R)-1,3,3-trimethyl-5-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]cyclohexyl]methyl]prop-2-enamide?
The InChIKey is FKJSNQKYYVGFEG-PNAZTGMHSA-N. The full InChI is InChI=1S/C26H34N2O4/c1-18-6-8-21(31-18)10-12-23(29)27-17-26(5)15-20(14-25(3,4)16-26)28-24(30)13-11-22-9-7-19(2)32-22/h6-13,20H,14-17H2,1-5H3,(H,27,29)(H,28,30)/b12-10+,13-11+/t20-,26+/m1/s1.
What are the key properties of (E)-3-(5-methylfuran-2-yl)-N-[[(1R,5R)-1,3,3-trimethyl-5-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]cyclohexyl]methyl]prop-2-enamide?
(E)-3-(5-methylfuran-2-yl)-N-[[(1R,5R)-1,3,3-trimethyl-5-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]cyclohexyl]methyl]prop-2-enamide has a molecular weight of 438.57 g/mol, XLogP of 5.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-methylfuran-2-yl)-N-[[(1R,5R)-1,3,3-trimethyl-5-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]cyclohexyl]methyl]prop-2-enamide is sourced from PubChem (CID 27528633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).