N-(furan-2-ylmethyl)-2-(1-methylindol-3-yl)-2-oxoacetamide

C16H14N2O3 — CID 44596352

IUPACN-(furan-2-ylmethyl)-2-(1-methylindol-3-yl)-2-oxoacetamide
SMILESCn1cc(C(=O)C(=O)NCc2ccco2)c2ccccc21
InChIInChI=1S/C16H14N2O3/c1-18-10-13(12-6-2-3-7-14(12)18)15(19)16(20)17-9-11-5-4-8-21-11/h2-8,10H,9H2,1H3,(H,17,20)
InChIKeySMKIHPQVEPJLHA-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.27
Rot. Bonds4

About N-(furan-2-ylmethyl)-2-(1-methylindol-3-yl)-2-oxoacetamide

N-(furan-2-ylmethyl)-2-(1-methylindol-3-yl)-2-oxoacetamide (PubChem CID 44596352) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(1-methylindol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(1-methylindol-3-yl)-2-oxoacetamide
PubChem CID44596352
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC NameN-(furan-2-ylmethyl)-2-(1-methylindol-3-yl)-2-oxoacetamide
SMILESCn1cc(C(=O)C(=O)NCc2ccco2)c2ccccc21
InChIInChI=1S/C16H14N2O3/c1-18-10-13(12-6-2-3-7-14(12)18)15(19)16(20)17-9-11-5-4-8-21-11/h2-8,10H,9H2,1H3,(H,17,20)
InChIKeySMKIHPQVEPJLHA-UHFFFAOYSA-N
XLogP2.27
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(1-methylindol-3-yl)-2-oxoacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(1-methylindol-3-yl)-2-oxoacetamide (CID 44596352) is N-(furan-2-ylmethyl)-2-(1-methylindol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(1-methylindol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(1-methylindol-3-yl)-2-oxoacetamide is Cn1cc(C(=O)C(=O)NCc2ccco2)c2ccccc21.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(1-methylindol-3-yl)-2-oxoacetamide?
The InChIKey is SMKIHPQVEPJLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-18-10-13(12-6-2-3-7-14(12)18)15(19)16(20)17-9-11-5-4-8-21-11/h2-8,10H,9H2,1H3,(H,17,20).
What are the key properties of N-(furan-2-ylmethyl)-2-(1-methylindol-3-yl)-2-oxoacetamide?
N-(furan-2-ylmethyl)-2-(1-methylindol-3-yl)-2-oxoacetamide has a molecular weight of 282.30 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(1-methylindol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 44596352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).