N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-indol-1-ylacetamide

C18H20N2O3 — CID 111481492

IUPACN-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-indol-1-ylacetamide
SMILESCc1ccc(C(C)(O)CNC(=O)Cn2ccc3ccccc32)o1
InChIInChI=1S/C18H20N2O3/c1-13-7-8-16(23-13)18(2,22)12-19-17(21)11-20-10-9-14-5-3-4-6-15(14)20/h3-10,22H,11-12H2,1-2H3,(H,19,21)
InChIKeyQYEBVBGJBSYGEF-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.57
Rot. Bonds5

About N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-indol-1-ylacetamide

N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-indol-1-ylacetamide (PubChem CID 111481492) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-indol-1-ylacetamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-indol-1-ylacetamide
PubChem CID111481492
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-indol-1-ylacetamide
SMILESCc1ccc(C(C)(O)CNC(=O)Cn2ccc3ccccc32)o1
InChIInChI=1S/C18H20N2O3/c1-13-7-8-16(23-13)18(2,22)12-19-17(21)11-20-10-9-14-5-3-4-6-15(14)20/h3-10,22H,11-12H2,1-2H3,(H,19,21)
InChIKeyQYEBVBGJBSYGEF-UHFFFAOYSA-N
XLogP2.57
TPSA67.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(furan-2-yl)-2-hydroxypropyl]-2-(5-methoxyindol-1-yl)acetamide
CID 111482762
N-tert-butyl-2-indol-1-ylacetamide
CID 47348922
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methyl-2-phenylpropanamide
CID 71985002
N-(2-hydroxy-2-phenylpropyl)-2-(5-methoxyindol-1-yl)acetamide
CID 111335212
N-(cyanomethyl)-2-indol-1-ylacetamide
CID 55220475
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-indol-1-ylacetamide
CID 87043777
N-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methylbut-2-enamide
CID 96567216
2-indol-1-yl-N-[(4-methoxyphenyl)methyl]acetamide
CID 4224442
N-[3-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 111520060
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]prop-2-enamide
CID 126814841
2-(1-hydroxycyclopentyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide
CID 111912231
2-indol-1-yl-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 110702432

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-indol-1-ylacetamide?
The IUPAC name of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-indol-1-ylacetamide (CID 111481492) is N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-indol-1-ylacetamide.
What is the SMILES notation for N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-indol-1-ylacetamide?
The canonical SMILES for N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-indol-1-ylacetamide is Cc1ccc(C(C)(O)CNC(=O)Cn2ccc3ccccc32)o1.
What is the InChIKey of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-indol-1-ylacetamide?
The InChIKey is QYEBVBGJBSYGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13-7-8-16(23-13)18(2,22)12-19-17(21)11-20-10-9-14-5-3-4-6-15(14)20/h3-10,22H,11-12H2,1-2H3,(H,19,21).
What are the key properties of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-indol-1-ylacetamide?
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-indol-1-ylacetamide has a molecular weight of 312.37 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-indol-1-ylacetamide is sourced from PubChem (CID 111481492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).