N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]cyclopropanecarboxamide

C18H24N2O2 — CID 53093919

IUPACN-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]cyclopropanecarboxamide
SMILESCC(C)CC(=O)N1CCc2cc(CNC(=O)C3CC3)ccc21
InChIInChI=1S/C18H24N2O2/c1-12(2)9-17(21)20-8-7-15-10-13(3-6-16(15)20)11-19-18(22)14-4-5-14/h3,6,10,12,14H,4-5,7-9,11H2,1-2H3,(H,19,22)
InChIKeyMWEPPSSOZMVFRV-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.65
Rot. Bonds5

About N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]cyclopropanecarboxamide

N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]cyclopropanecarboxamide (PubChem CID 53093919) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]cyclopropanecarboxamide
PubChem CID53093919
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]cyclopropanecarboxamide
SMILESCC(C)CC(=O)N1CCc2cc(CNC(=O)C3CC3)ccc21
InChIInChI=1S/C18H24N2O2/c1-12(2)9-17(21)20-8-7-15-10-13(3-6-16(15)20)11-19-18(22)14-4-5-14/h3,6,10,12,14H,4-5,7-9,11H2,1-2H3,(H,19,22)
InChIKeyMWEPPSSOZMVFRV-UHFFFAOYSA-N
XLogP2.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]cyclopropanecarboxamide (CID 53093919) is N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]cyclopropanecarboxamide is CC(C)CC(=O)N1CCc2cc(CNC(=O)C3CC3)ccc21.
What is the InChIKey of N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]cyclopropanecarboxamide?
The InChIKey is MWEPPSSOZMVFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-12(2)9-17(21)20-8-7-15-10-13(3-6-16(15)20)11-19-18(22)14-4-5-14/h3,6,10,12,14H,4-5,7-9,11H2,1-2H3,(H,19,22).
What are the key properties of N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]cyclopropanecarboxamide?
N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]cyclopropanecarboxamide has a molecular weight of 300.40 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 53093919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).