N-[7-(dimethylamino)-1H-indol-5-yl]acetamide

C12H15N3O — CID 19803643

IUPACN-[7-(dimethylamino)-1H-indol-5-yl]acetamide
SMILESCC(=O)Nc1cc(N(C)C)c2[nH]ccc2c1
InChIInChI=1S/C12H15N3O/c1-8(16)14-10-6-9-4-5-13-12(9)11(7-10)15(2)3/h4-7,13H,1-3H3,(H,14,16)
InChIKeyCKTNNMNHMIAQEN-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.19
Rot. Bonds2

About N-[7-(dimethylamino)-1H-indol-5-yl]acetamide

N-[7-(dimethylamino)-1H-indol-5-yl]acetamide (PubChem CID 19803643) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is N-[7-(dimethylamino)-1H-indol-5-yl]acetamide.

Molecular Properties

Compound NameN-[7-(dimethylamino)-1H-indol-5-yl]acetamide
PubChem CID19803643
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC NameN-[7-(dimethylamino)-1H-indol-5-yl]acetamide
SMILESCC(=O)Nc1cc(N(C)C)c2[nH]ccc2c1
InChIInChI=1S/C12H15N3O/c1-8(16)14-10-6-9-4-5-13-12(9)11(7-10)15(2)3/h4-7,13H,1-3H3,(H,14,16)
InChIKeyCKTNNMNHMIAQEN-UHFFFAOYSA-N
XLogP2.19
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[7-(dimethylamino)-1H-indol-5-yl]acetamide?
The IUPAC name of N-[7-(dimethylamino)-1H-indol-5-yl]acetamide (CID 19803643) is N-[7-(dimethylamino)-1H-indol-5-yl]acetamide.
What is the SMILES notation for N-[7-(dimethylamino)-1H-indol-5-yl]acetamide?
The canonical SMILES for N-[7-(dimethylamino)-1H-indol-5-yl]acetamide is CC(=O)Nc1cc(N(C)C)c2[nH]ccc2c1.
What is the InChIKey of N-[7-(dimethylamino)-1H-indol-5-yl]acetamide?
The InChIKey is CKTNNMNHMIAQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8(16)14-10-6-9-4-5-13-12(9)11(7-10)15(2)3/h4-7,13H,1-3H3,(H,14,16).
What are the key properties of N-[7-(dimethylamino)-1H-indol-5-yl]acetamide?
N-[7-(dimethylamino)-1H-indol-5-yl]acetamide has a molecular weight of 217.27 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(dimethylamino)-1H-indol-5-yl]acetamide is sourced from PubChem (CID 19803643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).