N-cyclohexyl-4,6-dimethyl-1H-indole-2-carboxamide

C17H22N2O — CID 2823691

IUPACN-cyclohexyl-4,6-dimethyl-1H-indole-2-carboxamide
SMILESCc1cc(C)c2cc(C(=O)NC3CCCCC3)[nH]c2c1
InChIInChI=1S/C17H22N2O/c1-11-8-12(2)14-10-16(19-15(14)9-11)17(20)18-13-6-4-3-5-7-13/h8-10,13,19H,3-7H2,1-2H3,(H,18,20)
InChIKeyHVSCDVSEALONKG-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.85
Rot. Bonds2

About N-cyclohexyl-4,6-dimethyl-1H-indole-2-carboxamide

N-cyclohexyl-4,6-dimethyl-1H-indole-2-carboxamide (PubChem CID 2823691) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-cyclohexyl-4,6-dimethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4,6-dimethyl-1H-indole-2-carboxamide
PubChem CID2823691
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-cyclohexyl-4,6-dimethyl-1H-indole-2-carboxamide
SMILESCc1cc(C)c2cc(C(=O)NC3CCCCC3)[nH]c2c1
InChIInChI=1S/C17H22N2O/c1-11-8-12(2)14-10-16(19-15(14)9-11)17(20)18-13-6-4-3-5-7-13/h8-10,13,19H,3-7H2,1-2H3,(H,18,20)
InChIKeyHVSCDVSEALONKG-UHFFFAOYSA-N
XLogP3.85
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4,6-dimethyl-1H-indole-2-carboxamide?
The IUPAC name of N-cyclohexyl-4,6-dimethyl-1H-indole-2-carboxamide (CID 2823691) is N-cyclohexyl-4,6-dimethyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-4,6-dimethyl-1H-indole-2-carboxamide?
The canonical SMILES for N-cyclohexyl-4,6-dimethyl-1H-indole-2-carboxamide is Cc1cc(C)c2cc(C(=O)NC3CCCCC3)[nH]c2c1.
What is the InChIKey of N-cyclohexyl-4,6-dimethyl-1H-indole-2-carboxamide?
The InChIKey is HVSCDVSEALONKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-11-8-12(2)14-10-16(19-15(14)9-11)17(20)18-13-6-4-3-5-7-13/h8-10,13,19H,3-7H2,1-2H3,(H,18,20).
What are the key properties of N-cyclohexyl-4,6-dimethyl-1H-indole-2-carboxamide?
N-cyclohexyl-4,6-dimethyl-1H-indole-2-carboxamide has a molecular weight of 270.38 g/mol, XLogP of 3.85, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4,6-dimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 2823691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).