2-(2,3-dihydro-1H-indol-3-yl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide

C14H20N2O2 — CID 113426004

IUPAC2-(2,3-dihydro-1H-indol-3-yl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
SMILESCC(CO)N(C)C(=O)CC1CNc2ccccc21
InChIInChI=1S/C14H20N2O2/c1-10(9-17)16(2)14(18)7-11-8-15-13-6-4-3-5-12(11)13/h3-6,10-11,15,17H,7-9H2,1-2H3
InChIKeyBCODOPRNDDLKDH-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.42
Rot. Bonds4

About 2-(2,3-dihydro-1H-indol-3-yl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide

2-(2,3-dihydro-1H-indol-3-yl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide (PubChem CID 113426004) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indol-3-yl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indol-3-yl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
PubChem CID113426004
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(2,3-dihydro-1H-indol-3-yl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
SMILESCC(CO)N(C)C(=O)CC1CNc2ccccc21
InChIInChI=1S/C14H20N2O2/c1-10(9-17)16(2)14(18)7-11-8-15-13-6-4-3-5-12(11)13/h3-6,10-11,15,17H,7-9H2,1-2H3
InChIKeyBCODOPRNDDLKDH-UHFFFAOYSA-N
XLogP1.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1H-indol-3-yl)-N-methyl-N-pentan-3-ylacetamide
CID 80573144
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-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]propanoic acid
CID 80573232
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-(3-hydroxyphenyl)-N-methylacetamide
CID 107734732
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-(2-methoxyethyl)-N-(2-methylpropyl)acetamide
CID 80572799
N-(2,3-dihydro-1H-indol-3-ylmethyl)-N,4-dimethylpentan-2-amine
CID 80566591
N-(1-cyclopropylethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573060
2-(2,3-dihydro-1H-indol-3-yl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
CID 106161625

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide?
The IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide (CID 113426004) is 2-(2,3-dihydro-1H-indol-3-yl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-indol-3-yl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-indol-3-yl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide is CC(CO)N(C)C(=O)CC1CNc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1H-indol-3-yl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide?
The InChIKey is BCODOPRNDDLKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(9-17)16(2)14(18)7-11-8-15-13-6-4-3-5-12(11)13/h3-6,10-11,15,17H,7-9H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1H-indol-3-yl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide?
2-(2,3-dihydro-1H-indol-3-yl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide has a molecular weight of 248.33 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-indol-3-yl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide is sourced from PubChem (CID 113426004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).