N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide

C19H15N3O5 — CID 108762929

IUPACN-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCC(=O)c1c(C)oc(NC(=O)C(C)N2C(=O)c3ccccc3C2=O)c1C#N
InChIInChI=1S/C19H15N3O5/c1-9(22-18(25)12-6-4-5-7-13(12)19(22)26)16(24)21-17-14(8-20)15(10(2)23)11(3)27-17/h4-7,9H,1-3H3,(H,21,24)
InChIKeyNAABSUIQTJZKAJ-UHFFFAOYSA-N
MW365.35 g/mol
LogP2.29
Rot. Bonds4

About N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide

N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 108762929) has the molecular formula C19H15N3O5 and a molecular weight of 365.35 g/mol. Its IUPAC name is N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID108762929
Molecular FormulaC19H15N3O5
Molecular Weight365.35 g/mol
Exact Mass365.10
IUPAC NameN-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCC(=O)c1c(C)oc(NC(=O)C(C)N2C(=O)c3ccccc3C2=O)c1C#N
InChIInChI=1S/C19H15N3O5/c1-9(22-18(25)12-6-4-5-7-13(12)19(22)26)16(24)21-17-14(8-20)15(10(2)23)11(3)27-17/h4-7,9H,1-3H3,(H,21,24)
InChIKeyNAABSUIQTJZKAJ-UHFFFAOYSA-N
XLogP2.29
TPSA120.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide (CID 108762929) is N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide is CC(=O)c1c(C)oc(NC(=O)C(C)N2C(=O)c3ccccc3C2=O)c1C#N.
What is the InChIKey of N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is NAABSUIQTJZKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O5/c1-9(22-18(25)12-6-4-5-7-13(12)19(22)26)16(24)21-17-14(8-20)15(10(2)23)11(3)27-17/h4-7,9H,1-3H3,(H,21,24).
What are the key properties of N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 365.35 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 108762929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).