N,N-diethyl-2,7-dimethyl-1H-indole-3-carboxamide

C15H20N2O — CID 110855138

IUPACN,N-diethyl-2,7-dimethyl-1H-indole-3-carboxamide
SMILESCCN(CC)C(=O)c1c(C)[nH]c2c(C)cccc12
InChIInChI=1S/C15H20N2O/c1-5-17(6-2)15(18)13-11(4)16-14-10(3)8-7-9-12(13)14/h7-9,16H,5-6H2,1-4H3
InChIKeyROGSHSCELOOGRO-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.27
Rot. Bonds3

About N,N-diethyl-2,7-dimethyl-1H-indole-3-carboxamide

N,N-diethyl-2,7-dimethyl-1H-indole-3-carboxamide (PubChem CID 110855138) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N,N-diethyl-2,7-dimethyl-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2,7-dimethyl-1H-indole-3-carboxamide
PubChem CID110855138
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN,N-diethyl-2,7-dimethyl-1H-indole-3-carboxamide
SMILESCCN(CC)C(=O)c1c(C)[nH]c2c(C)cccc12
InChIInChI=1S/C15H20N2O/c1-5-17(6-2)15(18)13-11(4)16-14-10(3)8-7-9-12(13)14/h7-9,16H,5-6H2,1-4H3
InChIKeyROGSHSCELOOGRO-UHFFFAOYSA-N
XLogP3.27
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2,7-dimethyl-1H-indole-3-carboxamide?
The IUPAC name of N,N-diethyl-2,7-dimethyl-1H-indole-3-carboxamide (CID 110855138) is N,N-diethyl-2,7-dimethyl-1H-indole-3-carboxamide.
What is the SMILES notation for N,N-diethyl-2,7-dimethyl-1H-indole-3-carboxamide?
The canonical SMILES for N,N-diethyl-2,7-dimethyl-1H-indole-3-carboxamide is CCN(CC)C(=O)c1c(C)[nH]c2c(C)cccc12.
What is the InChIKey of N,N-diethyl-2,7-dimethyl-1H-indole-3-carboxamide?
The InChIKey is ROGSHSCELOOGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-5-17(6-2)15(18)13-11(4)16-14-10(3)8-7-9-12(13)14/h7-9,16H,5-6H2,1-4H3.
What are the key properties of N,N-diethyl-2,7-dimethyl-1H-indole-3-carboxamide?
N,N-diethyl-2,7-dimethyl-1H-indole-3-carboxamide has a molecular weight of 244.34 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2,7-dimethyl-1H-indole-3-carboxamide is sourced from PubChem (CID 110855138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).