N-methyl-3-[3-[(propan-2-ylamino)methyl]indol-1-yl]propanamide

C16H23N3O — CID 66401524

IUPACN-methyl-3-[3-[(propan-2-ylamino)methyl]indol-1-yl]propanamide
SMILESCNC(=O)CCn1cc(CNC(C)C)c2ccccc21
InChIInChI=1S/C16H23N3O/c1-12(2)18-10-13-11-19(9-8-16(20)17-3)15-7-5-4-6-14(13)15/h4-7,11-12,18H,8-10H2,1-3H3,(H,17,20)
InChIKeyVTOPRGIBIBCIJE-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.28
Rot. Bonds6

About N-methyl-3-[3-[(propan-2-ylamino)methyl]indol-1-yl]propanamide

N-methyl-3-[3-[(propan-2-ylamino)methyl]indol-1-yl]propanamide (PubChem CID 66401524) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-methyl-3-[3-[(propan-2-ylamino)methyl]indol-1-yl]propanamide.

Molecular Properties

Compound NameN-methyl-3-[3-[(propan-2-ylamino)methyl]indol-1-yl]propanamide
PubChem CID66401524
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-methyl-3-[3-[(propan-2-ylamino)methyl]indol-1-yl]propanamide
SMILESCNC(=O)CCn1cc(CNC(C)C)c2ccccc21
InChIInChI=1S/C16H23N3O/c1-12(2)18-10-13-11-19(9-8-16(20)17-3)15-7-5-4-6-14(13)15/h4-7,11-12,18H,8-10H2,1-3H3,(H,17,20)
InChIKeyVTOPRGIBIBCIJE-UHFFFAOYSA-N
XLogP2.28
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(3-methylbut-3-enyl)indol-3-yl]methyl]propan-2-amine
CID 114477034
2-[3-[(propan-2-ylamino)methyl]indol-1-yl]acetic acid
CID 83776315
2-[2-[3-[(propan-2-ylamino)methyl]indol-1-yl]ethoxy]ethanol
CID 66402697
N-ethyl-2-[3-[(propan-2-ylamino)methyl]indol-1-yl]acetamide
CID 66407991
N-[[1-[2-(dimethylamino)ethyl]indol-3-yl]methyl]propan-2-amine
CID 66401921
3-[3-(methylaminomethyl)indol-1-yl]propanamide
CID 66407765
4-[3-(methylaminomethyl)indol-1-yl]butan-2-ol
CID 113399056
N-[(1-methylindol-3-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 115158236
N-ethyl-3-[3-[(propan-2-ylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]propanamide
CID 66411037
2-(1-benzylindol-3-yl)-N-methylacetamide
CID 13010553
methyl 3-[3-[(2-methylpropylamino)methyl]indol-1-yl]propanoate
CID 66403285
N-[[1-(pyridin-2-ylmethyl)indol-3-yl]methyl]propan-2-amine
CID 66402503

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[3-[(propan-2-ylamino)methyl]indol-1-yl]propanamide?
The IUPAC name of N-methyl-3-[3-[(propan-2-ylamino)methyl]indol-1-yl]propanamide (CID 66401524) is N-methyl-3-[3-[(propan-2-ylamino)methyl]indol-1-yl]propanamide.
What is the SMILES notation for N-methyl-3-[3-[(propan-2-ylamino)methyl]indol-1-yl]propanamide?
The canonical SMILES for N-methyl-3-[3-[(propan-2-ylamino)methyl]indol-1-yl]propanamide is CNC(=O)CCn1cc(CNC(C)C)c2ccccc21.
What is the InChIKey of N-methyl-3-[3-[(propan-2-ylamino)methyl]indol-1-yl]propanamide?
The InChIKey is VTOPRGIBIBCIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12(2)18-10-13-11-19(9-8-16(20)17-3)15-7-5-4-6-14(13)15/h4-7,11-12,18H,8-10H2,1-3H3,(H,17,20).
What are the key properties of N-methyl-3-[3-[(propan-2-ylamino)methyl]indol-1-yl]propanamide?
N-methyl-3-[3-[(propan-2-ylamino)methyl]indol-1-yl]propanamide has a molecular weight of 273.38 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[3-[(propan-2-ylamino)methyl]indol-1-yl]propanamide is sourced from PubChem (CID 66401524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).