(E)-N-cyclopropyl-3-(2-ethyl-1-benzofuran-3-yl)-N-(1-pyridin-2-ylethyl)prop-2-enamide

C23H24N2O2 — CID 55812556

IUPAC(E)-N-cyclopropyl-3-(2-ethyl-1-benzofuran-3-yl)-N-(1-pyridin-2-ylethyl)prop-2-enamide
SMILESCCc1oc2ccccc2c1/C=C/C(=O)N(C1CC1)C(C)c1ccccn1
InChIInChI=1S/C23H24N2O2/c1-3-21-19(18-8-4-5-10-22(18)27-21)13-14-23(26)25(17-11-12-17)16(2)20-9-6-7-15-24-20/h4-10,13-17H,3,11-12H2,1-2H3/b14-13+
InChIKeyZGMGRNXUNXFUBH-BUHFOSPRSA-N
MW360.46 g/mol
LogP5.16
Rot. Bonds6

About (E)-N-cyclopropyl-3-(2-ethyl-1-benzofuran-3-yl)-N-(1-pyridin-2-ylethyl)prop-2-enamide

(E)-N-cyclopropyl-3-(2-ethyl-1-benzofuran-3-yl)-N-(1-pyridin-2-ylethyl)prop-2-enamide (PubChem CID 55812556) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is (E)-N-cyclopropyl-3-(2-ethyl-1-benzofuran-3-yl)-N-(1-pyridin-2-ylethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclopropyl-3-(2-ethyl-1-benzofuran-3-yl)-N-(1-pyridin-2-ylethyl)prop-2-enamide
PubChem CID55812556
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name(E)-N-cyclopropyl-3-(2-ethyl-1-benzofuran-3-yl)-N-(1-pyridin-2-ylethyl)prop-2-enamide
SMILESCCc1oc2ccccc2c1/C=C/C(=O)N(C1CC1)C(C)c1ccccn1
InChIInChI=1S/C23H24N2O2/c1-3-21-19(18-8-4-5-10-22(18)27-21)13-14-23(26)25(17-11-12-17)16(2)20-9-6-7-15-24-20/h4-10,13-17H,3,11-12H2,1-2H3/b14-13+
InChIKeyZGMGRNXUNXFUBH-BUHFOSPRSA-N
XLogP5.16
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 55.16
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-(2-ethyl-1-benzofuran-3-yl)-N-(1-pyridin-2-ylethyl)prop-2-enamide?
The IUPAC name of (E)-N-cyclopropyl-3-(2-ethyl-1-benzofuran-3-yl)-N-(1-pyridin-2-ylethyl)prop-2-enamide (CID 55812556) is (E)-N-cyclopropyl-3-(2-ethyl-1-benzofuran-3-yl)-N-(1-pyridin-2-ylethyl)prop-2-enamide.
What is the SMILES notation for (E)-N-cyclopropyl-3-(2-ethyl-1-benzofuran-3-yl)-N-(1-pyridin-2-ylethyl)prop-2-enamide?
The canonical SMILES for (E)-N-cyclopropyl-3-(2-ethyl-1-benzofuran-3-yl)-N-(1-pyridin-2-ylethyl)prop-2-enamide is CCc1oc2ccccc2c1/C=C/C(=O)N(C1CC1)C(C)c1ccccn1.
What is the InChIKey of (E)-N-cyclopropyl-3-(2-ethyl-1-benzofuran-3-yl)-N-(1-pyridin-2-ylethyl)prop-2-enamide?
The InChIKey is ZGMGRNXUNXFUBH-BUHFOSPRSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-3-21-19(18-8-4-5-10-22(18)27-21)13-14-23(26)25(17-11-12-17)16(2)20-9-6-7-15-24-20/h4-10,13-17H,3,11-12H2,1-2H3/b14-13+.
What are the key properties of (E)-N-cyclopropyl-3-(2-ethyl-1-benzofuran-3-yl)-N-(1-pyridin-2-ylethyl)prop-2-enamide?
(E)-N-cyclopropyl-3-(2-ethyl-1-benzofuran-3-yl)-N-(1-pyridin-2-ylethyl)prop-2-enamide has a molecular weight of 360.46 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclopropyl-3-(2-ethyl-1-benzofuran-3-yl)-N-(1-pyridin-2-ylethyl)prop-2-enamide is sourced from PubChem (CID 55812556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).