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

C18H26N2O2 — CID 53093942

IUPACN-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]butanamide
SMILESCCCC(=O)NCc1ccc2c(c1)CCN2C(=O)CC(C)C
InChIInChI=1S/C18H26N2O2/c1-4-5-17(21)19-12-14-6-7-16-15(11-14)8-9-20(16)18(22)10-13(2)3/h6-7,11,13H,4-5,8-10,12H2,1-3H3,(H,19,21)
InChIKeyJADBEEHLSJLTGV-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.04
Rot. Bonds6

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

N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]butanamide (PubChem CID 53093942) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]butanamide.

Molecular Properties

Compound NameN-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]butanamide
PubChem CID53093942
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]butanamide
SMILESCCCC(=O)NCc1ccc2c(c1)CCN2C(=O)CC(C)C
InChIInChI=1S/C18H26N2O2/c1-4-5-17(21)19-12-14-6-7-16-15(11-14)8-9-20(16)18(22)10-13(2)3/h6-7,11,13H,4-5,8-10,12H2,1-3H3,(H,19,21)
InChIKeyJADBEEHLSJLTGV-UHFFFAOYSA-N
XLogP3.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.04
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]butanamide?
The IUPAC name of N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]butanamide (CID 53093942) is N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]butanamide.
What is the SMILES notation for N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]butanamide?
The canonical SMILES for N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]butanamide is CCCC(=O)NCc1ccc2c(c1)CCN2C(=O)CC(C)C.
What is the InChIKey of N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]butanamide?
The InChIKey is JADBEEHLSJLTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-4-5-17(21)19-12-14-6-7-16-15(11-14)8-9-20(16)18(22)10-13(2)3/h6-7,11,13H,4-5,8-10,12H2,1-3H3,(H,19,21).
What are the key properties of N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]butanamide?
N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]butanamide has a molecular weight of 302.42 g/mol, XLogP of 3.04, 6 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]butanamide is sourced from PubChem (CID 53093942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).