2-(1H-indol-7-ylmethylamino)-N-methylacetamide

C12H15N3O — CID 103640761

IUPAC2-(1H-indol-7-ylmethylamino)-N-methylacetamide
SMILESCNC(=O)CNCc1cccc2cc[nH]c12
InChIInChI=1S/C12H15N3O/c1-13-11(16)8-14-7-10-4-2-3-9-5-6-15-12(9)10/h2-6,14-15H,7-8H2,1H3,(H,13,16)
InChIKeyIVBBUQHBIGYZQY-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.00
Rot. Bonds4

About 2-(1H-indol-7-ylmethylamino)-N-methylacetamide

2-(1H-indol-7-ylmethylamino)-N-methylacetamide (PubChem CID 103640761) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(1H-indol-7-ylmethylamino)-N-methylacetamide.

Molecular Properties

Compound Name2-(1H-indol-7-ylmethylamino)-N-methylacetamide
PubChem CID103640761
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-(1H-indol-7-ylmethylamino)-N-methylacetamide
SMILESCNC(=O)CNCc1cccc2cc[nH]c12
InChIInChI=1S/C12H15N3O/c1-13-11(16)8-14-7-10-4-2-3-9-5-6-15-12(9)10/h2-6,14-15H,7-8H2,1H3,(H,13,16)
InChIKeyIVBBUQHBIGYZQY-UHFFFAOYSA-N
XLogP1.00
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(1H-indol-7-ylmethylamino)propan-2-ol
CID 96903920
2-[1-(1H-indol-7-ylmethyl)-3-oxopiperazin-2-yl]-N-methylacetamide
CID 77092889
N-(1H-indol-7-ylmethyl)-5-methylhexan-1-amine
CID 113240682
N-(1H-indol-7-ylmethyl)-2-methylsulfanylethanamine;hydrochloride
CID 115606849
methyl 3-(1H-indol-7-yl)-2-oxopropanoate
CID 70445852
N-(1H-indol-7-ylmethyl)-2-methoxy-2-methylpropan-1-amine
CID 113243504
2-(1H-indol-7-ylmethylamino)propane-1,3-diol
CID 115655450
N-(1H-indol-7-ylmethyl)-4-methylpent-1-yn-3-amine
CID 114202006
N-(1H-indol-7-ylmethyl)-1-(2-methylcyclopropyl)methanamine;hydrochloride
CID 115607465
1-[(1H-indol-7-ylmethylamino)methyl]cyclopentan-1-ol
CID 113234393
1-(1H-indol-7-yl)-N-methylmethanesulfonamide
CID 146446841
methyl 2-(1H-indol-7-ylmethylamino)benzoate
CID 102909440

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-7-ylmethylamino)-N-methylacetamide?
The IUPAC name of 2-(1H-indol-7-ylmethylamino)-N-methylacetamide (CID 103640761) is 2-(1H-indol-7-ylmethylamino)-N-methylacetamide.
What is the SMILES notation for 2-(1H-indol-7-ylmethylamino)-N-methylacetamide?
The canonical SMILES for 2-(1H-indol-7-ylmethylamino)-N-methylacetamide is CNC(=O)CNCc1cccc2cc[nH]c12.
What is the InChIKey of 2-(1H-indol-7-ylmethylamino)-N-methylacetamide?
The InChIKey is IVBBUQHBIGYZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-13-11(16)8-14-7-10-4-2-3-9-5-6-15-12(9)10/h2-6,14-15H,7-8H2,1H3,(H,13,16).
What are the key properties of 2-(1H-indol-7-ylmethylamino)-N-methylacetamide?
2-(1H-indol-7-ylmethylamino)-N-methylacetamide has a molecular weight of 217.27 g/mol, XLogP of 1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-7-ylmethylamino)-N-methylacetamide is sourced from PubChem (CID 103640761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).