N,N-dimethyl-2-[6-(trideuteriomethoxy)-2,3-dihydro-1H-indol-3-yl]acetamide

C13H18N2O2 — CID 168931102

IUPACN,N-dimethyl-2-[6-(trideuteriomethoxy)-2,3-dihydro-1H-indol-3-yl]acetamide
SMILES[2H]C([2H])([2H])Oc1ccc2c(c1)NCC2CC(=O)N(C)C
InChIInChI=1S/C13H18N2O2/c1-15(2)13(16)6-9-8-14-12-7-10(17-3)4-5-11(9)12/h4-5,7,9,14H,6,8H2,1-3H3/i3D3
InChIKeyUZWHAENEWWHIRA-HPRDVNIFSA-N
MW237.32 g/mol
LogP1.68
Rot. Bonds4

About N,N-dimethyl-2-[6-(trideuteriomethoxy)-2,3-dihydro-1H-indol-3-yl]acetamide

N,N-dimethyl-2-[6-(trideuteriomethoxy)-2,3-dihydro-1H-indol-3-yl]acetamide (PubChem CID 168931102) has the molecular formula C13H18N2O2 and a molecular weight of 237.32 g/mol. Its IUPAC name is N,N-dimethyl-2-[6-(trideuteriomethoxy)-2,3-dihydro-1H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[6-(trideuteriomethoxy)-2,3-dihydro-1H-indol-3-yl]acetamide
PubChem CID168931102
Molecular FormulaC13H18N2O2
Molecular Weight237.32 g/mol
Exact Mass237.16
IUPAC NameN,N-dimethyl-2-[6-(trideuteriomethoxy)-2,3-dihydro-1H-indol-3-yl]acetamide
SMILES[2H]C([2H])([2H])Oc1ccc2c(c1)NCC2CC(=O)N(C)C
InChIInChI=1S/C13H18N2O2/c1-15(2)13(16)6-9-8-14-12-7-10(17-3)4-5-11(9)12/h4-5,7,9,14H,6,8H2,1-3H3/i3D3
InChIKeyUZWHAENEWWHIRA-HPRDVNIFSA-N
XLogP1.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[6-(trideuteriomethoxy)-2,3-dihydro-1H-indol-3-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[6-(trideuteriomethoxy)-2,3-dihydro-1H-indol-3-yl]acetamide (CID 168931102) is N,N-dimethyl-2-[6-(trideuteriomethoxy)-2,3-dihydro-1H-indol-3-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[6-(trideuteriomethoxy)-2,3-dihydro-1H-indol-3-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[6-(trideuteriomethoxy)-2,3-dihydro-1H-indol-3-yl]acetamide is [2H]C([2H])([2H])Oc1ccc2c(c1)NCC2CC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-[6-(trideuteriomethoxy)-2,3-dihydro-1H-indol-3-yl]acetamide?
The InChIKey is UZWHAENEWWHIRA-HPRDVNIFSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-15(2)13(16)6-9-8-14-12-7-10(17-3)4-5-11(9)12/h4-5,7,9,14H,6,8H2,1-3H3/i3D3.
What are the key properties of N,N-dimethyl-2-[6-(trideuteriomethoxy)-2,3-dihydro-1H-indol-3-yl]acetamide?
N,N-dimethyl-2-[6-(trideuteriomethoxy)-2,3-dihydro-1H-indol-3-yl]acetamide has a molecular weight of 237.32 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[6-(trideuteriomethoxy)-2,3-dihydro-1H-indol-3-yl]acetamide is sourced from PubChem (CID 168931102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).