(E)-N-cyclohexyl-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide

C19H20N2O4 — CID 45051369

IUPAC(E)-N-cyclohexyl-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)NC1CCCCC1
InChIInChI=1S/C19H20N2O4/c22-19(20-15-6-2-1-3-7-15)12-10-17-9-11-18(25-17)14-5-4-8-16(13-14)21(23)24/h4-5,8-13,15H,1-3,6-7H2,(H,20,22)/b12-10+
InChIKeyJVZPCLUBHPPPDA-ZRDIBKRKSA-N
MW340.38 g/mol
LogP4.32
Rot. Bonds5

About (E)-N-cyclohexyl-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide

(E)-N-cyclohexyl-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide (PubChem CID 45051369) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is (E)-N-cyclohexyl-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclohexyl-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide
PubChem CID45051369
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name(E)-N-cyclohexyl-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)NC1CCCCC1
InChIInChI=1S/C19H20N2O4/c22-19(20-15-6-2-1-3-7-15)12-10-17-9-11-18(25-17)14-5-4-8-16(13-14)21(23)24/h4-5,8-13,15H,1-3,6-7H2,(H,20,22)/b12-10+
InChIKeyJVZPCLUBHPPPDA-ZRDIBKRKSA-N
XLogP4.32
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclohexyl-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide?
The IUPAC name of (E)-N-cyclohexyl-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide (CID 45051369) is (E)-N-cyclohexyl-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-cyclohexyl-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-N-cyclohexyl-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide is O=C(/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)NC1CCCCC1.
What is the InChIKey of (E)-N-cyclohexyl-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide?
The InChIKey is JVZPCLUBHPPPDA-ZRDIBKRKSA-N. The full InChI is InChI=1S/C19H20N2O4/c22-19(20-15-6-2-1-3-7-15)12-10-17-9-11-18(25-17)14-5-4-8-16(13-14)21(23)24/h4-5,8-13,15H,1-3,6-7H2,(H,20,22)/b12-10+.
What are the key properties of (E)-N-cyclohexyl-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide?
(E)-N-cyclohexyl-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide has a molecular weight of 340.38 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclohexyl-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide is sourced from PubChem (CID 45051369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).