3-[7-[(cyclopropylamino)methyl]indol-1-yl]-N-ethylpropanamide

C17H23N3O — CID 102914922

IUPAC3-[7-[(cyclopropylamino)methyl]indol-1-yl]-N-ethylpropanamide
SMILESCCNC(=O)CCn1ccc2cccc(CNC3CC3)c21
InChIInChI=1S/C17H23N3O/c1-2-18-16(21)9-11-20-10-8-13-4-3-5-14(17(13)20)12-19-15-6-7-15/h3-5,8,10,15,19H,2,6-7,9,11-12H2,1H3,(H,18,21)
InChIKeyOICHPGUGEKJGFO-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.42
Rot. Bonds7

About 3-[7-[(cyclopropylamino)methyl]indol-1-yl]-N-ethylpropanamide

3-[7-[(cyclopropylamino)methyl]indol-1-yl]-N-ethylpropanamide (PubChem CID 102914922) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[7-[(cyclopropylamino)methyl]indol-1-yl]-N-ethylpropanamide.

Molecular Properties

Compound Name3-[7-[(cyclopropylamino)methyl]indol-1-yl]-N-ethylpropanamide
PubChem CID102914922
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-[7-[(cyclopropylamino)methyl]indol-1-yl]-N-ethylpropanamide
SMILESCCNC(=O)CCn1ccc2cccc(CNC3CC3)c21
InChIInChI=1S/C17H23N3O/c1-2-18-16(21)9-11-20-10-8-13-4-3-5-14(17(13)20)12-19-15-6-7-15/h3-5,8,10,15,19H,2,6-7,9,11-12H2,1H3,(H,18,21)
InChIKeyOICHPGUGEKJGFO-UHFFFAOYSA-N
XLogP2.42
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-[7-(propylaminomethyl)indol-1-yl]propanamide
CID 102914354
5-[7-[(cyclopropylamino)methyl]indol-1-yl]pentan-1-ol
CID 102914739
ethyl 2-[7-[(cyclopropylamino)methyl]indol-1-yl]acetate
CID 102914953
3-[5-[(cyclopropylamino)methyl]indol-1-yl]-N-ethylpropanamide
CID 102916239
N-ethyl-2-[7-(ethylaminomethyl)indol-1-yl]acetamide
CID 102914190
N-[(1-butan-2-ylindol-7-yl)methyl]cyclopropanamine
CID 79444404
N-cyclopropyl-2-[7-(propylaminomethyl)indol-1-yl]acetamide
CID 102914268
N-cyclopropyl-3-(7-formylindol-1-yl)propanamide
CID 102909918
ethyl 3-(7-ethylindol-1-yl)propanoate
CID 43365480
N-[[1-(pyridin-2-ylmethyl)indol-7-yl]methyl]cyclopropanamine
CID 102914709
N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-7-yl]methyl]cyclopropanamine
CID 102914869
N-[[1-(2-ethylsulfonylethyl)indol-7-yl]methyl]ethanamine
CID 102914060

Frequently Asked Questions

What is the IUPAC name of 3-[7-[(cyclopropylamino)methyl]indol-1-yl]-N-ethylpropanamide?
The IUPAC name of 3-[7-[(cyclopropylamino)methyl]indol-1-yl]-N-ethylpropanamide (CID 102914922) is 3-[7-[(cyclopropylamino)methyl]indol-1-yl]-N-ethylpropanamide.
What is the SMILES notation for 3-[7-[(cyclopropylamino)methyl]indol-1-yl]-N-ethylpropanamide?
The canonical SMILES for 3-[7-[(cyclopropylamino)methyl]indol-1-yl]-N-ethylpropanamide is CCNC(=O)CCn1ccc2cccc(CNC3CC3)c21.
What is the InChIKey of 3-[7-[(cyclopropylamino)methyl]indol-1-yl]-N-ethylpropanamide?
The InChIKey is OICHPGUGEKJGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-18-16(21)9-11-20-10-8-13-4-3-5-14(17(13)20)12-19-15-6-7-15/h3-5,8,10,15,19H,2,6-7,9,11-12H2,1H3,(H,18,21).
What are the key properties of 3-[7-[(cyclopropylamino)methyl]indol-1-yl]-N-ethylpropanamide?
3-[7-[(cyclopropylamino)methyl]indol-1-yl]-N-ethylpropanamide has a molecular weight of 285.39 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[(cyclopropylamino)methyl]indol-1-yl]-N-ethylpropanamide is sourced from PubChem (CID 102914922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).