(E)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide

C16H23NO4 — CID 115772807

IUPAC(E)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
SMILESCOCCN(CCO)C(=O)/C=C/c1ccc(C2CC2C)o1
InChIInChI=1S/C16H23NO4/c1-12-11-14(12)15-5-3-13(21-15)4-6-16(19)17(7-9-18)8-10-20-2/h3-6,12,14,18H,7-11H2,1-2H3/b6-4+
InChIKeyFRHAITHWDWMTPS-GQCTYLIASA-N
MW293.36 g/mol
LogP1.88
Rot. Bonds8

About (E)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide

(E)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide (PubChem CID 115772807) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is (E)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
PubChem CID115772807
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name(E)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
SMILESCOCCN(CCO)C(=O)/C=C/c1ccc(C2CC2C)o1
InChIInChI=1S/C16H23NO4/c1-12-11-14(12)15-5-3-13(21-15)4-6-16(19)17(7-9-18)8-10-20-2/h3-6,12,14,18H,7-11H2,1-2H3/b6-4+
InChIKeyFRHAITHWDWMTPS-GQCTYLIASA-N
XLogP1.88
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
The IUPAC name of (E)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide (CID 115772807) is (E)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide is COCCN(CCO)C(=O)/C=C/c1ccc(C2CC2C)o1.
What is the InChIKey of (E)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
The InChIKey is FRHAITHWDWMTPS-GQCTYLIASA-N. The full InChI is InChI=1S/C16H23NO4/c1-12-11-14(12)15-5-3-13(21-15)4-6-16(19)17(7-9-18)8-10-20-2/h3-6,12,14,18H,7-11H2,1-2H3/b6-4+.
What are the key properties of (E)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
(E)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide has a molecular weight of 293.36 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide is sourced from PubChem (CID 115772807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).