(E)-N-cyclopropyl-3-(4-ethoxyphenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]prop-2-enamide

C23H27NO3 — CID 55672770

IUPAC(E)-N-cyclopropyl-3-(4-ethoxyphenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)N(Cc2ccc(C3CC3C)o2)C2CC2)cc1
InChIInChI=1S/C23H27NO3/c1-3-26-19-9-4-17(5-10-19)6-13-23(25)24(18-7-8-18)15-20-11-12-22(27-20)21-14-16(21)2/h4-6,9-13,16,18,21H,3,7-8,14-15H2,1-2H3/b13-6+
InChIKeyXTHCUWOIPFUPIX-AWNIVKPZSA-N
MW365.47 g/mol
LogP5.01
Rot. Bonds8

About (E)-N-cyclopropyl-3-(4-ethoxyphenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]prop-2-enamide

(E)-N-cyclopropyl-3-(4-ethoxyphenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]prop-2-enamide (PubChem CID 55672770) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is (E)-N-cyclopropyl-3-(4-ethoxyphenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclopropyl-3-(4-ethoxyphenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]prop-2-enamide
PubChem CID55672770
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name(E)-N-cyclopropyl-3-(4-ethoxyphenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)N(Cc2ccc(C3CC3C)o2)C2CC2)cc1
InChIInChI=1S/C23H27NO3/c1-3-26-19-9-4-17(5-10-19)6-13-23(25)24(18-7-8-18)15-20-11-12-22(27-20)21-14-16(21)2/h4-6,9-13,16,18,21H,3,7-8,14-15H2,1-2H3/b13-6+
InChIKeyXTHCUWOIPFUPIX-AWNIVKPZSA-N
XLogP5.01
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.47
LogP ≤ 55.01
H-Bond Donors ≤ 50
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 (E)-N-cyclopropyl-3-(4-ethoxyphenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]prop-2-enamide?
The IUPAC name of (E)-N-cyclopropyl-3-(4-ethoxyphenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]prop-2-enamide (CID 55672770) is (E)-N-cyclopropyl-3-(4-ethoxyphenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]prop-2-enamide.
What is the SMILES notation for (E)-N-cyclopropyl-3-(4-ethoxyphenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]prop-2-enamide?
The canonical SMILES for (E)-N-cyclopropyl-3-(4-ethoxyphenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]prop-2-enamide is CCOc1ccc(/C=C/C(=O)N(Cc2ccc(C3CC3C)o2)C2CC2)cc1.
What is the InChIKey of (E)-N-cyclopropyl-3-(4-ethoxyphenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]prop-2-enamide?
The InChIKey is XTHCUWOIPFUPIX-AWNIVKPZSA-N. The full InChI is InChI=1S/C23H27NO3/c1-3-26-19-9-4-17(5-10-19)6-13-23(25)24(18-7-8-18)15-20-11-12-22(27-20)21-14-16(21)2/h4-6,9-13,16,18,21H,3,7-8,14-15H2,1-2H3/b13-6+.
What are the key properties of (E)-N-cyclopropyl-3-(4-ethoxyphenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]prop-2-enamide?
(E)-N-cyclopropyl-3-(4-ethoxyphenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]prop-2-enamide has a molecular weight of 365.47 g/mol, XLogP of 5.01, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclopropyl-3-(4-ethoxyphenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]prop-2-enamide is sourced from PubChem (CID 55672770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).