2-[(1,3-dimethylindol-2-yl)methylamino]-N-ethyl-N-methylpropanamide

C17H25N3O — CID 107236349

IUPAC2-[(1,3-dimethylindol-2-yl)methylamino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NCc1c(C)c2ccccc2n1C
InChIInChI=1S/C17H25N3O/c1-6-19(4)17(21)13(3)18-11-16-12(2)14-9-7-8-10-15(14)20(16)5/h7-10,13,18H,6,11H2,1-5H3
InChIKeyUQUCUVFJLMJLJO-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.44
Rot. Bonds5

About 2-[(1,3-dimethylindol-2-yl)methylamino]-N-ethyl-N-methylpropanamide

2-[(1,3-dimethylindol-2-yl)methylamino]-N-ethyl-N-methylpropanamide (PubChem CID 107236349) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-[(1,3-dimethylindol-2-yl)methylamino]-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-[(1,3-dimethylindol-2-yl)methylamino]-N-ethyl-N-methylpropanamide
PubChem CID107236349
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-[(1,3-dimethylindol-2-yl)methylamino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NCc1c(C)c2ccccc2n1C
InChIInChI=1S/C17H25N3O/c1-6-19(4)17(21)13(3)18-11-16-12(2)14-9-7-8-10-15(14)20(16)5/h7-10,13,18H,6,11H2,1-5H3
InChIKeyUQUCUVFJLMJLJO-UHFFFAOYSA-N
XLogP2.44
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-N-[(1,3-dimethylindol-2-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine
CID 107235585
2-[(1,3-dimethylindol-2-yl)methylamino]propane-1,3-diol
CID 107235824
2-[(1,3-dimethylindol-2-yl)methylamino]butan-1-ol
CID 107234805
3-[(1,3-dimethylindol-2-yl)methylamino]-2-methylbutan-1-ol
CID 107236217
N-[(1,3-dimethylindol-2-yl)methyl]-4-methoxybutan-2-amine
CID 107235779
3-[(1,3-dimethylindol-2-yl)methyl-ethylamino]-2-methylpropanoic acid
CID 107236504
2-[[2-(benzylamino)-2-oxoethyl]amino]-N-ethyl-N-methylpropanamide
CID 103108505
3-[(1,3-dimethylindol-2-yl)methyl-ethylamino]butanoic acid
CID 107236506
2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]-N-ethyl-N-methylpropanamide
CID 103108596
(1S)-1-cyclopentyl-N-[(1,3-dimethylindol-2-yl)methyl]ethanamine
CID 107235986
N-[(1,3-dimethylindol-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 107235503
N-[(1,3-dimethylindol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 107235513

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethylindol-2-yl)methylamino]-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-[(1,3-dimethylindol-2-yl)methylamino]-N-ethyl-N-methylpropanamide (CID 107236349) is 2-[(1,3-dimethylindol-2-yl)methylamino]-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-[(1,3-dimethylindol-2-yl)methylamino]-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-[(1,3-dimethylindol-2-yl)methylamino]-N-ethyl-N-methylpropanamide is CCN(C)C(=O)C(C)NCc1c(C)c2ccccc2n1C.
What is the InChIKey of 2-[(1,3-dimethylindol-2-yl)methylamino]-N-ethyl-N-methylpropanamide?
The InChIKey is UQUCUVFJLMJLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-6-19(4)17(21)13(3)18-11-16-12(2)14-9-7-8-10-15(14)20(16)5/h7-10,13,18H,6,11H2,1-5H3.
What are the key properties of 2-[(1,3-dimethylindol-2-yl)methylamino]-N-ethyl-N-methylpropanamide?
2-[(1,3-dimethylindol-2-yl)methylamino]-N-ethyl-N-methylpropanamide has a molecular weight of 287.41 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethylindol-2-yl)methylamino]-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 107236349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).