2-[3-[(cyclopropylamino)methyl]indol-1-yl]-N-ethyl-N-methylacetamide

C17H23N3O — CID 66403280

IUPAC2-[3-[(cyclopropylamino)methyl]indol-1-yl]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)Cn1cc(CNC2CC2)c2ccccc21
InChIInChI=1S/C17H23N3O/c1-3-19(2)17(21)12-20-11-13(10-18-14-8-9-14)15-6-4-5-7-16(15)20/h4-7,11,14,18H,3,8-10,12H2,1-2H3
InChIKeyQRERFOKHFMYFLG-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.37
Rot. Bonds6

About 2-[3-[(cyclopropylamino)methyl]indol-1-yl]-N-ethyl-N-methylacetamide

2-[3-[(cyclopropylamino)methyl]indol-1-yl]-N-ethyl-N-methylacetamide (PubChem CID 66403280) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[3-[(cyclopropylamino)methyl]indol-1-yl]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[3-[(cyclopropylamino)methyl]indol-1-yl]-N-ethyl-N-methylacetamide
PubChem CID66403280
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-[3-[(cyclopropylamino)methyl]indol-1-yl]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)Cn1cc(CNC2CC2)c2ccccc21
InChIInChI=1S/C17H23N3O/c1-3-19(2)17(21)12-20-11-13(10-18-14-8-9-14)15-6-4-5-7-16(15)20/h4-7,11,14,18H,3,8-10,12H2,1-2H3
InChIKeyQRERFOKHFMYFLG-UHFFFAOYSA-N
XLogP2.37
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[3-[(cyclopropylamino)methyl]indol-1-yl]acetate
CID 58005918
2-[3-(2-aminoethyl)indol-1-yl]-N-ethyl-N-methylacetamide
CID 63156515
N-[[1-(ethoxymethyl)indol-3-yl]methyl]cyclopropanamine
CID 66401135
N,N-diethyl-2-[3-(ethylaminomethyl)indol-1-yl]acetamide
CID 66409526
N,N-diethyl-2-[3-(methylaminomethyl)indol-1-yl]acetamide
CID 66408422
1-[2-[ethyl(methyl)amino]-2-oxoethyl]indole-3-carboxylic acid
CID 43309799
N-[(1-ethylindol-3-yl)methyl]cyclooctanamine
CID 29228709
N-[[1-(2-pyrrolidin-1-ylethyl)indol-3-yl]methyl]cyclopropanamine
CID 66402698
2-[3-(ethylaminomethyl)indol-1-yl]acetamide
CID 66409295
4-N-[(1-methylindol-3-yl)methyl]cyclohexane-1,4-diamine
CID 107235605
N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methyl]cyclopropanamine
CID 66401134
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-cyclopropylacetamide
CID 41108991

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(cyclopropylamino)methyl]indol-1-yl]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[3-[(cyclopropylamino)methyl]indol-1-yl]-N-ethyl-N-methylacetamide (CID 66403280) is 2-[3-[(cyclopropylamino)methyl]indol-1-yl]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[3-[(cyclopropylamino)methyl]indol-1-yl]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[3-[(cyclopropylamino)methyl]indol-1-yl]-N-ethyl-N-methylacetamide is CCN(C)C(=O)Cn1cc(CNC2CC2)c2ccccc21.
What is the InChIKey of 2-[3-[(cyclopropylamino)methyl]indol-1-yl]-N-ethyl-N-methylacetamide?
The InChIKey is QRERFOKHFMYFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-19(2)17(21)12-20-11-13(10-18-14-8-9-14)15-6-4-5-7-16(15)20/h4-7,11,14,18H,3,8-10,12H2,1-2H3.
What are the key properties of 2-[3-[(cyclopropylamino)methyl]indol-1-yl]-N-ethyl-N-methylacetamide?
2-[3-[(cyclopropylamino)methyl]indol-1-yl]-N-ethyl-N-methylacetamide has a molecular weight of 285.39 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(cyclopropylamino)methyl]indol-1-yl]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 66403280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).