N-(furan-2-ylmethyl)-2-(3-propanoylindol-1-yl)acetamide

C18H18N2O3 — CID 955329

IUPACN-(furan-2-ylmethyl)-2-(3-propanoylindol-1-yl)acetamide
SMILESCCC(=O)c1cn(CC(=O)NCc2ccco2)c2ccccc12
InChIInChI=1S/C18H18N2O3/c1-2-17(21)15-11-20(16-8-4-3-7-14(15)16)12-18(22)19-10-13-6-5-9-23-13/h3-9,11H,2,10,12H2,1H3,(H,19,22)
InChIKeyNGGGIVDSHYRAEZ-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.14
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-(3-propanoylindol-1-yl)acetamide

N-(furan-2-ylmethyl)-2-(3-propanoylindol-1-yl)acetamide (PubChem CID 955329) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(3-propanoylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(3-propanoylindol-1-yl)acetamide
PubChem CID955329
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-(furan-2-ylmethyl)-2-(3-propanoylindol-1-yl)acetamide
SMILESCCC(=O)c1cn(CC(=O)NCc2ccco2)c2ccccc12
InChIInChI=1S/C18H18N2O3/c1-2-17(21)15-11-20(16-8-4-3-7-14(15)16)12-18(22)19-10-13-6-5-9-23-13/h3-9,11H,2,10,12H2,1H3,(H,19,22)
InChIKeyNGGGIVDSHYRAEZ-UHFFFAOYSA-N
XLogP3.14
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(3-propanoylindol-1-yl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(3-propanoylindol-1-yl)acetamide (CID 955329) is N-(furan-2-ylmethyl)-2-(3-propanoylindol-1-yl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(3-propanoylindol-1-yl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(3-propanoylindol-1-yl)acetamide is CCC(=O)c1cn(CC(=O)NCc2ccco2)c2ccccc12.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(3-propanoylindol-1-yl)acetamide?
The InChIKey is NGGGIVDSHYRAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-2-17(21)15-11-20(16-8-4-3-7-14(15)16)12-18(22)19-10-13-6-5-9-23-13/h3-9,11H,2,10,12H2,1H3,(H,19,22).
What are the key properties of N-(furan-2-ylmethyl)-2-(3-propanoylindol-1-yl)acetamide?
N-(furan-2-ylmethyl)-2-(3-propanoylindol-1-yl)acetamide has a molecular weight of 310.35 g/mol, XLogP of 3.14, 6 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-(3-propanoylindol-1-yl)acetamide is sourced from PubChem (CID 955329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).