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

C17H25N3O — CID 66400947

IUPAC2-methyl-3-[3-[(2-methylpropylamino)methyl]indol-1-yl]propanamide
SMILESCC(C)CNCc1cn(CC(C)C(N)=O)c2ccccc12
InChIInChI=1S/C17H25N3O/c1-12(2)8-19-9-14-11-20(10-13(3)17(18)21)16-7-5-4-6-15(14)16/h4-7,11-13,19H,8-10H2,1-3H3,(H2,18,21)
InChIKeyJAEYWLPRAHFOER-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.51
Rot. Bonds7

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

2-methyl-3-[3-[(2-methylpropylamino)methyl]indol-1-yl]propanamide (PubChem CID 66400947) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-methyl-3-[3-[(2-methylpropylamino)methyl]indol-1-yl]propanamide.

Molecular Properties

Compound Name2-methyl-3-[3-[(2-methylpropylamino)methyl]indol-1-yl]propanamide
PubChem CID66400947
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-methyl-3-[3-[(2-methylpropylamino)methyl]indol-1-yl]propanamide
SMILESCC(C)CNCc1cn(CC(C)C(N)=O)c2ccccc12
InChIInChI=1S/C17H25N3O/c1-12(2)8-19-9-14-11-20(10-13(3)17(18)21)16-7-5-4-6-15(14)16/h4-7,11-13,19H,8-10H2,1-3H3,(H2,18,21)
InChIKeyJAEYWLPRAHFOER-UHFFFAOYSA-N
XLogP2.51
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[3-[(2-methylpropylamino)methyl]indol-1-yl]propanoate
CID 66403285
2-[3-(ethylaminomethyl)indol-1-yl]acetamide
CID 66409295
1-(3-amino-2-methyl-3-oxopropyl)indole-3-sulfonyl chloride
CID 82914753
3-[3-[[(2-hydroxy-3-phenylpropyl)amino]methyl]indol-1-yl]propanamide
CID 46989574
2-methyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanamide
CID 66404402
3-[3-(methylaminomethyl)indol-1-yl]propanamide
CID 66407765
(2S)-1-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol
CID 124826737
2-[3-[(propan-2-ylamino)methyl]indol-1-yl]acetic acid
CID 83776315
4-[3-(methylaminomethyl)indol-1-yl]butan-2-ol
CID 113399056
2-[3-(ethylaminomethyl)indol-1-yl]ethanol
CID 66409741
(2R)-1-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol
CID 124826792
ethyl 3-[(1-ethylindol-3-yl)methylamino]propanoate
CID 65067184

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[3-[(2-methylpropylamino)methyl]indol-1-yl]propanamide?
The IUPAC name of 2-methyl-3-[3-[(2-methylpropylamino)methyl]indol-1-yl]propanamide (CID 66400947) is 2-methyl-3-[3-[(2-methylpropylamino)methyl]indol-1-yl]propanamide.
What is the SMILES notation for 2-methyl-3-[3-[(2-methylpropylamino)methyl]indol-1-yl]propanamide?
The canonical SMILES for 2-methyl-3-[3-[(2-methylpropylamino)methyl]indol-1-yl]propanamide is CC(C)CNCc1cn(CC(C)C(N)=O)c2ccccc12.
What is the InChIKey of 2-methyl-3-[3-[(2-methylpropylamino)methyl]indol-1-yl]propanamide?
The InChIKey is JAEYWLPRAHFOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-12(2)8-19-9-14-11-20(10-13(3)17(18)21)16-7-5-4-6-15(14)16/h4-7,11-13,19H,8-10H2,1-3H3,(H2,18,21).
What are the key properties of 2-methyl-3-[3-[(2-methylpropylamino)methyl]indol-1-yl]propanamide?
2-methyl-3-[3-[(2-methylpropylamino)methyl]indol-1-yl]propanamide has a molecular weight of 287.41 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[3-[(2-methylpropylamino)methyl]indol-1-yl]propanamide is sourced from PubChem (CID 66400947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).