(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2-methyl-3-piperidin-1-ylpropyl)prop-2-enamide

C20H30N2O2 — CID 55980658

IUPAC(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2-methyl-3-piperidin-1-ylpropyl)prop-2-enamide
SMILESCC(CNC(=O)/C=C/c1ccc(C2CC2C)o1)CN1CCCCC1
InChIInChI=1S/C20H30N2O2/c1-15(14-22-10-4-3-5-11-22)13-21-20(23)9-7-17-6-8-19(24-17)18-12-16(18)2/h6-9,15-16,18H,3-5,10-14H2,1-2H3,(H,21,23)/b9-7+
InChIKeyXTFVMBNGFJSBCL-VQHVLOKHSA-N
MW330.47 g/mol
LogP3.65
Rot. Bonds7

About (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2-methyl-3-piperidin-1-ylpropyl)prop-2-enamide

(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2-methyl-3-piperidin-1-ylpropyl)prop-2-enamide (PubChem CID 55980658) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2-methyl-3-piperidin-1-ylpropyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2-methyl-3-piperidin-1-ylpropyl)prop-2-enamide
PubChem CID55980658
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2-methyl-3-piperidin-1-ylpropyl)prop-2-enamide
SMILESCC(CNC(=O)/C=C/c1ccc(C2CC2C)o1)CN1CCCCC1
InChIInChI=1S/C20H30N2O2/c1-15(14-22-10-4-3-5-11-22)13-21-20(23)9-7-17-6-8-19(24-17)18-12-16(18)2/h6-9,15-16,18H,3-5,10-14H2,1-2H3,(H,21,23)/b9-7+
InChIKeyXTFVMBNGFJSBCL-VQHVLOKHSA-N
XLogP3.65
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(3-hydroxy-2-methylpropyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 65037410
(E)-N-cyclohexyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 45352237
(E)-3-(2,4-dimethylphenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)prop-2-enamide
CID 87025920
N-(1-hydroxy-4-methylpentan-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 61245613
tert-butyl 4-[3-[[(E)-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enoyl]amino]propyl]piperazine-1-carboxylate
CID 51952124
(2S)-N-tert-butyl-2-[[(Z)-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enoyl]amino]propanamide
CID 98727390
(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 43237027
(E)-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enoate
CID 7131871
(Z)-N-[(2-methoxyphenyl)methyl]-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
CID 129421507
(E)-N-(1-ethyl-6-oxo-3-pyridinyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 75403812
N-(2-hydroxypropyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 76940023
(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]-N-(2-methyl-3-piperidin-1-ylpropyl)prop-2-enamide
CID 55980532

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2-methyl-3-piperidin-1-ylpropyl)prop-2-enamide?
The IUPAC name of (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2-methyl-3-piperidin-1-ylpropyl)prop-2-enamide (CID 55980658) is (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2-methyl-3-piperidin-1-ylpropyl)prop-2-enamide.
What is the SMILES notation for (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2-methyl-3-piperidin-1-ylpropyl)prop-2-enamide?
The canonical SMILES for (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2-methyl-3-piperidin-1-ylpropyl)prop-2-enamide is CC(CNC(=O)/C=C/c1ccc(C2CC2C)o1)CN1CCCCC1.
What is the InChIKey of (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2-methyl-3-piperidin-1-ylpropyl)prop-2-enamide?
The InChIKey is XTFVMBNGFJSBCL-VQHVLOKHSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-15(14-22-10-4-3-5-11-22)13-21-20(23)9-7-17-6-8-19(24-17)18-12-16(18)2/h6-9,15-16,18H,3-5,10-14H2,1-2H3,(H,21,23)/b9-7+.
What are the key properties of (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2-methyl-3-piperidin-1-ylpropyl)prop-2-enamide?
(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2-methyl-3-piperidin-1-ylpropyl)prop-2-enamide has a molecular weight of 330.47 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2-methyl-3-piperidin-1-ylpropyl)prop-2-enamide is sourced from PubChem (CID 55980658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).