N-ethyl-2,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]-1H-indole-5-carboxamide

C16H21N3O2 — CID 43430184

IUPACN-ethyl-2,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]-1H-indole-5-carboxamide
SMILESCCN(CC(=O)NC)C(=O)c1ccc2[nH]c(C)c(C)c2c1
InChIInChI=1S/C16H21N3O2/c1-5-19(9-15(20)17-4)16(21)12-6-7-14-13(8-12)10(2)11(3)18-14/h6-8,18H,5,9H2,1-4H3,(H,17,20)
InChIKeyMWOGEOWCEWXWGV-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.99
Rot. Bonds4

About N-ethyl-2,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]-1H-indole-5-carboxamide

N-ethyl-2,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]-1H-indole-5-carboxamide (PubChem CID 43430184) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-ethyl-2,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-2,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]-1H-indole-5-carboxamide
PubChem CID43430184
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-ethyl-2,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]-1H-indole-5-carboxamide
SMILESCCN(CC(=O)NC)C(=O)c1ccc2[nH]c(C)c(C)c2c1
InChIInChI=1S/C16H21N3O2/c1-5-19(9-15(20)17-4)16(21)12-6-7-14-13(8-12)10(2)11(3)18-14/h6-8,18H,5,9H2,1-4H3,(H,17,20)
InChIKeyMWOGEOWCEWXWGV-UHFFFAOYSA-N
XLogP1.99
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]-1H-indole-5-carboxamide?
The IUPAC name of N-ethyl-2,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]-1H-indole-5-carboxamide (CID 43430184) is N-ethyl-2,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]-1H-indole-5-carboxamide.
What is the SMILES notation for N-ethyl-2,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]-1H-indole-5-carboxamide?
The canonical SMILES for N-ethyl-2,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]-1H-indole-5-carboxamide is CCN(CC(=O)NC)C(=O)c1ccc2[nH]c(C)c(C)c2c1.
What is the InChIKey of N-ethyl-2,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]-1H-indole-5-carboxamide?
The InChIKey is MWOGEOWCEWXWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-5-19(9-15(20)17-4)16(21)12-6-7-14-13(8-12)10(2)11(3)18-14/h6-8,18H,5,9H2,1-4H3,(H,17,20).
What are the key properties of N-ethyl-2,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]-1H-indole-5-carboxamide?
N-ethyl-2,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]-1H-indole-5-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 43430184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).