(2E)-2-[(E)-3-ethoxyprop-2-enylidene]-3-ethyl-N-[(2R)-1-methoxypentan-2-yl]-3H-furan-5-carboxamide

C18H29NO4 — CID 138509805

IUPAC(2E)-2-[(E)-3-ethoxyprop-2-enylidene]-3-ethyl-N-[(2R)-1-methoxypentan-2-yl]-3H-furan-5-carboxamide
SMILESCCC[C@H](COC)NC(=O)C1=CC(CC)/C(=C\C=C\OCC)O1
InChIInChI=1S/C18H29NO4/c1-5-9-15(13-21-4)19-18(20)17-12-14(6-2)16(23-17)10-8-11-22-7-3/h8,10-12,14-15H,5-7,9,13H2,1-4H3,(H,19,20)/b11-8+,16-10+/t14?,15-/m1/s1
InChIKeyUBVPMKGKUSIBHZ-UGSUDHMYSA-N
MW323.43 g/mol
LogP3.29
Rot. Bonds10

About (2E)-2-[(E)-3-ethoxyprop-2-enylidene]-3-ethyl-N-[(2R)-1-methoxypentan-2-yl]-3H-furan-5-carboxamide

(2E)-2-[(E)-3-ethoxyprop-2-enylidene]-3-ethyl-N-[(2R)-1-methoxypentan-2-yl]-3H-furan-5-carboxamide (PubChem CID 138509805) has the molecular formula C18H29NO4 and a molecular weight of 323.43 g/mol. Its IUPAC name is (2E)-2-[(E)-3-ethoxyprop-2-enylidene]-3-ethyl-N-[(2R)-1-methoxypentan-2-yl]-3H-furan-5-carboxamide.

Molecular Properties

Compound Name(2E)-2-[(E)-3-ethoxyprop-2-enylidene]-3-ethyl-N-[(2R)-1-methoxypentan-2-yl]-3H-furan-5-carboxamide
PubChem CID138509805
Molecular FormulaC18H29NO4
Molecular Weight323.43 g/mol
Exact Mass323.21
IUPAC Name(2E)-2-[(E)-3-ethoxyprop-2-enylidene]-3-ethyl-N-[(2R)-1-methoxypentan-2-yl]-3H-furan-5-carboxamide
SMILESCCC[C@H](COC)NC(=O)C1=CC(CC)/C(=C\C=C\OCC)O1
InChIInChI=1S/C18H29NO4/c1-5-9-15(13-21-4)19-18(20)17-12-14(6-2)16(23-17)10-8-11-22-7-3/h8,10-12,14-15H,5-7,9,13H2,1-4H3,(H,19,20)/b11-8+,16-10+/t14?,15-/m1/s1
InChIKeyUBVPMKGKUSIBHZ-UGSUDHMYSA-N
XLogP3.29
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-3-ethoxyprop-2-enylidene]-3-ethyl-N-[(2R)-1-methoxypentan-2-yl]-3H-furan-5-carboxamide?
The IUPAC name of (2E)-2-[(E)-3-ethoxyprop-2-enylidene]-3-ethyl-N-[(2R)-1-methoxypentan-2-yl]-3H-furan-5-carboxamide (CID 138509805) is (2E)-2-[(E)-3-ethoxyprop-2-enylidene]-3-ethyl-N-[(2R)-1-methoxypentan-2-yl]-3H-furan-5-carboxamide.
What is the SMILES notation for (2E)-2-[(E)-3-ethoxyprop-2-enylidene]-3-ethyl-N-[(2R)-1-methoxypentan-2-yl]-3H-furan-5-carboxamide?
The canonical SMILES for (2E)-2-[(E)-3-ethoxyprop-2-enylidene]-3-ethyl-N-[(2R)-1-methoxypentan-2-yl]-3H-furan-5-carboxamide is CCC[C@H](COC)NC(=O)C1=CC(CC)/C(=C\C=C\OCC)O1.
What is the InChIKey of (2E)-2-[(E)-3-ethoxyprop-2-enylidene]-3-ethyl-N-[(2R)-1-methoxypentan-2-yl]-3H-furan-5-carboxamide?
The InChIKey is UBVPMKGKUSIBHZ-UGSUDHMYSA-N. The full InChI is InChI=1S/C18H29NO4/c1-5-9-15(13-21-4)19-18(20)17-12-14(6-2)16(23-17)10-8-11-22-7-3/h8,10-12,14-15H,5-7,9,13H2,1-4H3,(H,19,20)/b11-8+,16-10+/t14?,15-/m1/s1.
What are the key properties of (2E)-2-[(E)-3-ethoxyprop-2-enylidene]-3-ethyl-N-[(2R)-1-methoxypentan-2-yl]-3H-furan-5-carboxamide?
(2E)-2-[(E)-3-ethoxyprop-2-enylidene]-3-ethyl-N-[(2R)-1-methoxypentan-2-yl]-3H-furan-5-carboxamide has a molecular weight of 323.43 g/mol, XLogP of 3.29, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-3-ethoxyprop-2-enylidene]-3-ethyl-N-[(2R)-1-methoxypentan-2-yl]-3H-furan-5-carboxamide is sourced from PubChem (CID 138509805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).