N-[(1S)-1-cyclohexylethyl]-N,1-dimethylindole-2-carboxamide

C19H26N2O — CID 44588240

IUPACN-[(1S)-1-cyclohexylethyl]-N,1-dimethylindole-2-carboxamide
SMILESC[C@@H](C1CCCCC1)N(C)C(=O)c1cc2ccccc2n1C
InChIInChI=1S/C19H26N2O/c1-14(15-9-5-4-6-10-15)20(2)19(22)18-13-16-11-7-8-12-17(16)21(18)3/h7-8,11-15H,4-6,9-10H2,1-3H3/t14-/m0/s1
InChIKeyXYLJEMZEMKXFCE-AWEZNQCLSA-N
MW298.43 g/mol
LogP4.22
Rot. Bonds3

About N-[(1S)-1-cyclohexylethyl]-N,1-dimethylindole-2-carboxamide

N-[(1S)-1-cyclohexylethyl]-N,1-dimethylindole-2-carboxamide (PubChem CID 44588240) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexylethyl]-N,1-dimethylindole-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclohexylethyl]-N,1-dimethylindole-2-carboxamide
PubChem CID44588240
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC NameN-[(1S)-1-cyclohexylethyl]-N,1-dimethylindole-2-carboxamide
SMILESC[C@@H](C1CCCCC1)N(C)C(=O)c1cc2ccccc2n1C
InChIInChI=1S/C19H26N2O/c1-14(15-9-5-4-6-10-15)20(2)19(22)18-13-16-11-7-8-12-17(16)21(18)3/h7-8,11-15H,4-6,9-10H2,1-3H3/t14-/m0/s1
InChIKeyXYLJEMZEMKXFCE-AWEZNQCLSA-N
XLogP4.22
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclohexylethyl]-N,1-dimethylindole-2-carboxamide?
The IUPAC name of N-[(1S)-1-cyclohexylethyl]-N,1-dimethylindole-2-carboxamide (CID 44588240) is N-[(1S)-1-cyclohexylethyl]-N,1-dimethylindole-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyclohexylethyl]-N,1-dimethylindole-2-carboxamide?
The canonical SMILES for N-[(1S)-1-cyclohexylethyl]-N,1-dimethylindole-2-carboxamide is C[C@@H](C1CCCCC1)N(C)C(=O)c1cc2ccccc2n1C.
What is the InChIKey of N-[(1S)-1-cyclohexylethyl]-N,1-dimethylindole-2-carboxamide?
The InChIKey is XYLJEMZEMKXFCE-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H26N2O/c1-14(15-9-5-4-6-10-15)20(2)19(22)18-13-16-11-7-8-12-17(16)21(18)3/h7-8,11-15H,4-6,9-10H2,1-3H3/t14-/m0/s1.
What are the key properties of N-[(1S)-1-cyclohexylethyl]-N,1-dimethylindole-2-carboxamide?
N-[(1S)-1-cyclohexylethyl]-N,1-dimethylindole-2-carboxamide has a molecular weight of 298.43 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclohexylethyl]-N,1-dimethylindole-2-carboxamide is sourced from PubChem (CID 44588240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).