2-methyl-3-[7-(methylaminomethyl)indol-1-yl]propanamide

C14H19N3O — CID 102913928

IUPAC2-methyl-3-[7-(methylaminomethyl)indol-1-yl]propanamide
SMILESCNCc1cccc2ccn(CC(C)C(N)=O)c12
InChIInChI=1S/C14H19N3O/c1-10(14(15)18)9-17-7-6-11-4-3-5-12(8-16-2)13(11)17/h3-7,10,16H,8-9H2,1-2H3,(H2,15,18)
InChIKeyVGFQSVZKWMWAIZ-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.48
Rot. Bonds5

About 2-methyl-3-[7-(methylaminomethyl)indol-1-yl]propanamide

2-methyl-3-[7-(methylaminomethyl)indol-1-yl]propanamide (PubChem CID 102913928) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-methyl-3-[7-(methylaminomethyl)indol-1-yl]propanamide.

Molecular Properties

Compound Name2-methyl-3-[7-(methylaminomethyl)indol-1-yl]propanamide
PubChem CID102913928
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-methyl-3-[7-(methylaminomethyl)indol-1-yl]propanamide
SMILESCNCc1cccc2ccn(CC(C)C(N)=O)c12
InChIInChI=1S/C14H19N3O/c1-10(14(15)18)9-17-7-6-11-4-3-5-12(8-16-2)13(11)17/h3-7,10,16H,8-9H2,1-2H3,(H2,15,18)
InChIKeyVGFQSVZKWMWAIZ-UHFFFAOYSA-N
XLogP1.48
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-indol-1-yl-2-methylpropanamide
CID 63811423
5-[7-(methylaminomethyl)indol-1-yl]pentan-1-ol
CID 102913749
4-[7-(methylaminomethyl)indol-1-yl]butanenitrile
CID 102913981
1-[7-(propylaminomethyl)indol-1-yl]propan-2-ol
CID 102914360
2-[7-[(tert-butylamino)methyl]indol-1-yl]acetamide
CID 102915184
2-[7-(aminomethyl)indol-1-yl]-N-propan-2-ylacetamide
CID 102913711
3-(1-ethylindol-7-yl)-2-methylpropanoic acid
CID 115106604
1-(2,2-difluoroethyl)-7-ethylindole
CID 116618758
2-methyl-3-[2-[1-(methylamino)ethyl]pyrrol-1-yl]propanamide
CID 79101742
methyl 4-[7-[(propan-2-ylamino)methyl]indol-1-yl]butanoate
CID 102914556
3-[7-(propylaminomethyl)indol-1-yl]propane-1,2-diol
CID 102914318
[1-(2-methoxypropyl)indol-7-yl]methanol
CID 102912071

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[7-(methylaminomethyl)indol-1-yl]propanamide?
The IUPAC name of 2-methyl-3-[7-(methylaminomethyl)indol-1-yl]propanamide (CID 102913928) is 2-methyl-3-[7-(methylaminomethyl)indol-1-yl]propanamide.
What is the SMILES notation for 2-methyl-3-[7-(methylaminomethyl)indol-1-yl]propanamide?
The canonical SMILES for 2-methyl-3-[7-(methylaminomethyl)indol-1-yl]propanamide is CNCc1cccc2ccn(CC(C)C(N)=O)c12.
What is the InChIKey of 2-methyl-3-[7-(methylaminomethyl)indol-1-yl]propanamide?
The InChIKey is VGFQSVZKWMWAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(14(15)18)9-17-7-6-11-4-3-5-12(8-16-2)13(11)17/h3-7,10,16H,8-9H2,1-2H3,(H2,15,18).
What are the key properties of 2-methyl-3-[7-(methylaminomethyl)indol-1-yl]propanamide?
2-methyl-3-[7-(methylaminomethyl)indol-1-yl]propanamide has a molecular weight of 245.33 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[7-(methylaminomethyl)indol-1-yl]propanamide is sourced from PubChem (CID 102913928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).