N-[3-(furan-2-ylmethoxy)propyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide

C19H20N2O4 — CID 47049339

IUPACN-[3-(furan-2-ylmethoxy)propyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
SMILESCc1[nH]c2ccccc2c1C(=O)C(=O)NCCCOCc1ccco1
InChIInChI=1S/C19H20N2O4/c1-13-17(15-7-2-3-8-16(15)21-13)18(22)19(23)20-9-5-10-24-12-14-6-4-11-25-14/h2-4,6-8,11,21H,5,9-10,12H2,1H3,(H,20,23)
InChIKeyMACCBUYBCXECOP-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.98
Rot. Bonds8

About N-[3-(furan-2-ylmethoxy)propyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide

N-[3-(furan-2-ylmethoxy)propyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide (PubChem CID 47049339) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[3-(furan-2-ylmethoxy)propyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[3-(furan-2-ylmethoxy)propyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
PubChem CID47049339
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN-[3-(furan-2-ylmethoxy)propyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
SMILESCc1[nH]c2ccccc2c1C(=O)C(=O)NCCCOCc1ccco1
InChIInChI=1S/C19H20N2O4/c1-13-17(15-7-2-3-8-16(15)21-13)18(22)19(23)20-9-5-10-24-12-14-6-4-11-25-14/h2-4,6-8,11,21H,5,9-10,12H2,1H3,(H,20,23)
InChIKeyMACCBUYBCXECOP-UHFFFAOYSA-N
XLogP2.98
TPSA84.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-ylmethoxy)propyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-[3-(furan-2-ylmethoxy)propyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide (CID 47049339) is N-[3-(furan-2-ylmethoxy)propyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-[3-(furan-2-ylmethoxy)propyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-[3-(furan-2-ylmethoxy)propyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide is Cc1[nH]c2ccccc2c1C(=O)C(=O)NCCCOCc1ccco1.
What is the InChIKey of N-[3-(furan-2-ylmethoxy)propyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is MACCBUYBCXECOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-13-17(15-7-2-3-8-16(15)21-13)18(22)19(23)20-9-5-10-24-12-14-6-4-11-25-14/h2-4,6-8,11,21H,5,9-10,12H2,1H3,(H,20,23).
What are the key properties of N-[3-(furan-2-ylmethoxy)propyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
N-[3-(furan-2-ylmethoxy)propyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 340.38 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-ylmethoxy)propyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 47049339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).