4-(2-methyl-2,3-dihydroindol-1-yl)butanamide

C13H18N2O — CID 82040812

IUPAC4-(2-methyl-2,3-dihydroindol-1-yl)butanamide
SMILESCC1Cc2ccccc2N1CCCC(N)=O
InChIInChI=1S/C13H18N2O/c1-10-9-11-5-2-3-6-12(11)15(10)8-4-7-13(14)16/h2-3,5-6,10H,4,7-9H2,1H3,(H2,14,16)
InChIKeyJXOSVKSQJZOLPO-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.70
Rot. Bonds4

About 4-(2-methyl-2,3-dihydroindol-1-yl)butanamide

4-(2-methyl-2,3-dihydroindol-1-yl)butanamide (PubChem CID 82040812) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-(2-methyl-2,3-dihydroindol-1-yl)butanamide.

Molecular Properties

Compound Name4-(2-methyl-2,3-dihydroindol-1-yl)butanamide
PubChem CID82040812
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name4-(2-methyl-2,3-dihydroindol-1-yl)butanamide
SMILESCC1Cc2ccccc2N1CCCC(N)=O
InChIInChI=1S/C13H18N2O/c1-10-9-11-5-2-3-6-12(11)15(10)8-4-7-13(14)16/h2-3,5-6,10H,4,7-9H2,1H3,(H2,14,16)
InChIKeyJXOSVKSQJZOLPO-UHFFFAOYSA-N
XLogP1.70
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 22200023
3-(2-methyl-2,3-dihydroindol-1-yl)-1-phenylpropan-1-one
CID 62613248
1-(4-bromobutyl)-2-methyl-2,3-dihydroindole
CID 61286704
2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide
CID 110917258
2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine;2,2,2-trifluoroacetic acid
CID 160947916
N-cycloheptyl-3-(2-methyl-2,3-dihydroindol-1-yl)propanamide
CID 109031533
1-(4-ethylpiperazin-1-yl)-3-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 109017603
N,N-bis(cyanomethyl)-3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propanamide
CID 94824067
4-(2-methyl-2,3-dihydroindol-1-yl)-N-propylbutan-1-amine
CID 55070127
N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]methanesulfonamide
CID 94200081
N-(4-ethylphenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)propanamide
CID 109036323
4-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 62424967

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-2,3-dihydroindol-1-yl)butanamide?
The IUPAC name of 4-(2-methyl-2,3-dihydroindol-1-yl)butanamide (CID 82040812) is 4-(2-methyl-2,3-dihydroindol-1-yl)butanamide.
What is the SMILES notation for 4-(2-methyl-2,3-dihydroindol-1-yl)butanamide?
The canonical SMILES for 4-(2-methyl-2,3-dihydroindol-1-yl)butanamide is CC1Cc2ccccc2N1CCCC(N)=O.
What is the InChIKey of 4-(2-methyl-2,3-dihydroindol-1-yl)butanamide?
The InChIKey is JXOSVKSQJZOLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10-9-11-5-2-3-6-12(11)15(10)8-4-7-13(14)16/h2-3,5-6,10H,4,7-9H2,1H3,(H2,14,16).
What are the key properties of 4-(2-methyl-2,3-dihydroindol-1-yl)butanamide?
4-(2-methyl-2,3-dihydroindol-1-yl)butanamide has a molecular weight of 218.30 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-2,3-dihydroindol-1-yl)butanamide is sourced from PubChem (CID 82040812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).