2-(2,3-dihydroindol-1-yl)-3-methylbutanamide

C13H18N2O — CID 82040813

IUPAC2-(2,3-dihydroindol-1-yl)-3-methylbutanamide
SMILESCC(C)C(C(N)=O)N1CCc2ccccc21
InChIInChI=1S/C13H18N2O/c1-9(2)12(13(14)16)15-8-7-10-5-3-4-6-11(10)15/h3-6,9,12H,7-8H2,1-2H3,(H2,14,16)
InChIKeyAEZUAKVMWUFCKO-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.56
Rot. Bonds3

About 2-(2,3-dihydroindol-1-yl)-3-methylbutanamide

2-(2,3-dihydroindol-1-yl)-3-methylbutanamide (PubChem CID 82040813) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-3-methylbutanamide.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-3-methylbutanamide
PubChem CID82040813
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-(2,3-dihydroindol-1-yl)-3-methylbutanamide
SMILESCC(C)C(C(N)=O)N1CCc2ccccc21
InChIInChI=1S/C13H18N2O/c1-9(2)12(13(14)16)15-8-7-10-5-3-4-6-11(10)15/h3-6,9,12H,7-8H2,1-2H3,(H2,14,16)
InChIKeyAEZUAKVMWUFCKO-UHFFFAOYSA-N
XLogP1.56
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dihydro-2H-quinolin-1-yl)-3-methylbutanoyl chloride
CID 82041996
2-(2,3-dihydroindol-1-yl)pentan-3-one
CID 64868632
(2S)-2-(2,3-dihydroindol-1-yl)-2-(4-fluorophenyl)acetamide
CID 51641515
(2S)-2-[[(2R)-2-(2,3-dihydroindol-1-yl)-2-phenylacetyl]amino]propanamide
CID 124616245
(2S)-2-[[(2S)-2-(2,3-dihydroindol-1-yl)-2-phenylacetyl]amino]propanamide
CID 124616246
2-(3,4-dihydro-2H-quinolin-1-yl)butanamide
CID 62901418
4-[1-(2,3-dihydroindol-1-yl)-2-methylpropyl]aniline
CID 82024554
2,4-bis(3,4-dihydro-2H-quinolin-1-yl)pentan-3-one
CID 151944573
2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 20806588
3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropanamide
CID 82079357
(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 42223767
2-(2,3-dihydroindol-1-yl)pentanoic acid
CID 21135037

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-3-methylbutanamide?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-3-methylbutanamide (CID 82040813) is 2-(2,3-dihydroindol-1-yl)-3-methylbutanamide.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-3-methylbutanamide?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-3-methylbutanamide is CC(C)C(C(N)=O)N1CCc2ccccc21.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-3-methylbutanamide?
The InChIKey is AEZUAKVMWUFCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9(2)12(13(14)16)15-8-7-10-5-3-4-6-11(10)15/h3-6,9,12H,7-8H2,1-2H3,(H2,14,16).
What are the key properties of 2-(2,3-dihydroindol-1-yl)-3-methylbutanamide?
2-(2,3-dihydroindol-1-yl)-3-methylbutanamide has a molecular weight of 218.30 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-3-methylbutanamide is sourced from PubChem (CID 82040813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).