(E)-N-(5-hydroxy-4-methylpentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide

C17H25NO3 — CID 103862368

IUPAC(E)-N-(5-hydroxy-4-methylpentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
SMILESCC(CO)CCCNC(=O)/C=C/c1ccc(C2CC2C)o1
InChIInChI=1S/C17H25NO3/c1-12(11-19)4-3-9-18-17(20)8-6-14-5-7-16(21-14)15-10-13(15)2/h5-8,12-13,15,19H,3-4,9-11H2,1-2H3,(H,18,20)/b8-6+
InChIKeyQBLDBBNBTUSIGG-SOFGYWHQSA-N
MW291.39 g/mol
LogP2.94
Rot. Bonds8

About (E)-N-(5-hydroxy-4-methylpentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide

(E)-N-(5-hydroxy-4-methylpentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide (PubChem CID 103862368) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is (E)-N-(5-hydroxy-4-methylpentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(5-hydroxy-4-methylpentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
PubChem CID103862368
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name(E)-N-(5-hydroxy-4-methylpentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
SMILESCC(CO)CCCNC(=O)/C=C/c1ccc(C2CC2C)o1
InChIInChI=1S/C17H25NO3/c1-12(11-19)4-3-9-18-17(20)8-6-14-5-7-16(21-14)15-10-13(15)2/h5-8,12-13,15,19H,3-4,9-11H2,1-2H3,(H,18,20)/b8-6+
InChIKeyQBLDBBNBTUSIGG-SOFGYWHQSA-N
XLogP2.94
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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
N-(5-hydroxy-4-methylpentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
CID 103862369
N-(1-hydroxy-4-methylpentan-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 61245613
N-methyl-3-[[(Z)-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enoyl]amino]propanamide
CID 98645041
(E)-N-[(2S)-butan-2-yl]-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
CID 129419927
(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2-methyl-3-piperidin-1-ylpropyl)prop-2-enamide
CID 55980658
(E)-N-[(4-fluorophenyl)methyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 43034838
tert-butyl 4-[3-[[(E)-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enoyl]amino]propyl]piperazine-1-carboxylate
CID 51952124
(E)-N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
CID 51926674
(E)-3-(2,6-dichlorophenyl)-N-(5-hydroxy-4-methylpentyl)prop-2-enamide
CID 103861642
(E)-3-(2-bromophenyl)-N-(5-hydroxy-4-methylpentyl)prop-2-enamide
CID 103861687
(E)-N-cyclohexyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 45352237

Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-hydroxy-4-methylpentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
The IUPAC name of (E)-N-(5-hydroxy-4-methylpentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide (CID 103862368) is (E)-N-(5-hydroxy-4-methylpentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-(5-hydroxy-4-methylpentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-N-(5-hydroxy-4-methylpentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide is CC(CO)CCCNC(=O)/C=C/c1ccc(C2CC2C)o1.
What is the InChIKey of (E)-N-(5-hydroxy-4-methylpentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
The InChIKey is QBLDBBNBTUSIGG-SOFGYWHQSA-N. The full InChI is InChI=1S/C17H25NO3/c1-12(11-19)4-3-9-18-17(20)8-6-14-5-7-16(21-14)15-10-13(15)2/h5-8,12-13,15,19H,3-4,9-11H2,1-2H3,(H,18,20)/b8-6+.
What are the key properties of (E)-N-(5-hydroxy-4-methylpentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
(E)-N-(5-hydroxy-4-methylpentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide has a molecular weight of 291.39 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-hydroxy-4-methylpentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide is sourced from PubChem (CID 103862368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).