2-(2,3-dihydro-1H-indol-3-yl)-N-methyl-N-pentan-3-ylacetamide

C16H24N2O — CID 80573144

IUPAC2-(2,3-dihydro-1H-indol-3-yl)-N-methyl-N-pentan-3-ylacetamide
SMILESCCC(CC)N(C)C(=O)CC1CNc2ccccc21
InChIInChI=1S/C16H24N2O/c1-4-13(5-2)18(3)16(19)10-12-11-17-15-9-7-6-8-14(12)15/h6-9,12-13,17H,4-5,10-11H2,1-3H3
InChIKeyMAVRNSIHCWLHPU-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.23
Rot. Bonds5

About 2-(2,3-dihydro-1H-indol-3-yl)-N-methyl-N-pentan-3-ylacetamide

2-(2,3-dihydro-1H-indol-3-yl)-N-methyl-N-pentan-3-ylacetamide (PubChem CID 80573144) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indol-3-yl)-N-methyl-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indol-3-yl)-N-methyl-N-pentan-3-ylacetamide
PubChem CID80573144
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-(2,3-dihydro-1H-indol-3-yl)-N-methyl-N-pentan-3-ylacetamide
SMILESCCC(CC)N(C)C(=O)CC1CNc2ccccc21
InChIInChI=1S/C16H24N2O/c1-4-13(5-2)18(3)16(19)10-12-11-17-15-9-7-6-8-14(12)15/h6-9,12-13,17H,4-5,10-11H2,1-3H3
InChIKeyMAVRNSIHCWLHPU-UHFFFAOYSA-N
XLogP3.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1H-indol-3-yl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 113426004
2-(2,3-dihydro-1H-indol-3-yl)-N-ethyl-N-phenylacetamide
CID 80572173
N-(2-amino-2-oxoethyl)-2-(2,3-dihydro-1H-indol-3-yl)-N-methylacetamide
CID 80573654
2-(2,3-dihydro-1H-indol-3-yl)-N',N'-dimethylacetohydrazide
CID 83020755
2-(2,3-dihydro-1H-indol-3-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide
CID 80573170
2-(2,3-dihydro-1H-indol-3-yl)-N-methyl-N-(oxolan-3-yl)acetamide
CID 82738126
2-(2,3-dihydro-1H-indol-3-yl)-N-(3-hydroxyphenyl)-N-methylacetamide
CID 107734732
propyl 2-(2,3-dihydro-1H-indol-3-yl)acetate
CID 79600080
2-(2,3-dihydro-1H-indol-3-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide
CID 80572799
(3R)-3-ethyl-2,3-dihydro-1H-indole
CID 92797412
2-(2,3-dihydro-1H-indol-3-yl)-1-(4-ethylphenyl)ethanone
CID 116593600
N-(2,3-dihydro-1H-indol-3-ylmethyl)-N,4-dimethylpentan-2-amine
CID 80566591

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-N-methyl-N-pentan-3-ylacetamide?
The IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-N-methyl-N-pentan-3-ylacetamide (CID 80573144) is 2-(2,3-dihydro-1H-indol-3-yl)-N-methyl-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-indol-3-yl)-N-methyl-N-pentan-3-ylacetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-indol-3-yl)-N-methyl-N-pentan-3-ylacetamide is CCC(CC)N(C)C(=O)CC1CNc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1H-indol-3-yl)-N-methyl-N-pentan-3-ylacetamide?
The InChIKey is MAVRNSIHCWLHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-13(5-2)18(3)16(19)10-12-11-17-15-9-7-6-8-14(12)15/h6-9,12-13,17H,4-5,10-11H2,1-3H3.
What are the key properties of 2-(2,3-dihydro-1H-indol-3-yl)-N-methyl-N-pentan-3-ylacetamide?
2-(2,3-dihydro-1H-indol-3-yl)-N-methyl-N-pentan-3-ylacetamide has a molecular weight of 260.38 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-indol-3-yl)-N-methyl-N-pentan-3-ylacetamide is sourced from PubChem (CID 80573144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).