1-[2-(diethylamino)ethyl]-N-methylindole-3-carboxamide

C16H23N3O — CID 67785662

IUPAC1-[2-(diethylamino)ethyl]-N-methylindole-3-carboxamide
SMILESCCN(CC)CCn1cc(C(=O)NC)c2ccccc21
InChIInChI=1S/C16H23N3O/c1-4-18(5-2)10-11-19-12-14(16(20)17-3)13-8-6-7-9-15(13)19/h6-9,12H,4-5,10-11H2,1-3H3,(H,17,20)
InChIKeyVFHZKNBJBOSFMU-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.34
Rot. Bonds6

About 1-[2-(diethylamino)ethyl]-N-methylindole-3-carboxamide

1-[2-(diethylamino)ethyl]-N-methylindole-3-carboxamide (PubChem CID 67785662) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-N-methylindole-3-carboxamide.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-N-methylindole-3-carboxamide
PubChem CID67785662
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-[2-(diethylamino)ethyl]-N-methylindole-3-carboxamide
SMILESCCN(CC)CCn1cc(C(=O)NC)c2ccccc21
InChIInChI=1S/C16H23N3O/c1-4-18(5-2)10-11-19-12-14(16(20)17-3)13-8-6-7-9-15(13)19/h6-9,12H,4-5,10-11H2,1-3H3,(H,17,20)
InChIKeyVFHZKNBJBOSFMU-UHFFFAOYSA-N
XLogP2.34
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-N-methylindole-3-carboxamide?
The IUPAC name of 1-[2-(diethylamino)ethyl]-N-methylindole-3-carboxamide (CID 67785662) is 1-[2-(diethylamino)ethyl]-N-methylindole-3-carboxamide.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-N-methylindole-3-carboxamide?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-N-methylindole-3-carboxamide is CCN(CC)CCn1cc(C(=O)NC)c2ccccc21.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-N-methylindole-3-carboxamide?
The InChIKey is VFHZKNBJBOSFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-18(5-2)10-11-19-12-14(16(20)17-3)13-8-6-7-9-15(13)19/h6-9,12H,4-5,10-11H2,1-3H3,(H,17,20).
What are the key properties of 1-[2-(diethylamino)ethyl]-N-methylindole-3-carboxamide?
1-[2-(diethylamino)ethyl]-N-methylindole-3-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-N-methylindole-3-carboxamide is sourced from PubChem (CID 67785662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).