ethane;N-[(1-ethylcyclohexyl)methyl]-N,1-dimethylindole-2-carboxamide

C24H40N2O — CID 159217306

IUPACethane;N-[(1-ethylcyclohexyl)methyl]-N,1-dimethylindole-2-carboxamide
SMILESCC.CC.CCC1(CN(C)C(=O)c2cc3ccccc3n2C)CCCCC1
InChIInChI=1S/C20H28N2O.2C2H6/c1-4-20(12-8-5-9-13-20)15-21(2)19(23)18-14-16-10-6-7-11-17(16)22(18)3;2*1-2/h6-7,10-11,14H,4-5,8-9,12-13,15H2,1-3H3;2*1-2H3
InChIKeyKRFSCYSBGKANQW-UHFFFAOYSA-N
MW372.60 g/mol
LogP6.66
Rot. Bonds4

About ethane;N-[(1-ethylcyclohexyl)methyl]-N,1-dimethylindole-2-carboxamide

ethane;N-[(1-ethylcyclohexyl)methyl]-N,1-dimethylindole-2-carboxamide (PubChem CID 159217306) has the molecular formula C24H40N2O and a molecular weight of 372.60 g/mol. Its IUPAC name is ethane;N-[(1-ethylcyclohexyl)methyl]-N,1-dimethylindole-2-carboxamide.

Molecular Properties

Compound Nameethane;N-[(1-ethylcyclohexyl)methyl]-N,1-dimethylindole-2-carboxamide
PubChem CID159217306
Molecular FormulaC24H40N2O
Molecular Weight372.60 g/mol
Exact Mass372.31
IUPAC Nameethane;N-[(1-ethylcyclohexyl)methyl]-N,1-dimethylindole-2-carboxamide
SMILESCC.CC.CCC1(CN(C)C(=O)c2cc3ccccc3n2C)CCCCC1
InChIInChI=1S/C20H28N2O.2C2H6/c1-4-20(12-8-5-9-13-20)15-21(2)19(23)18-14-16-10-6-7-11-17(16)22(18)3;2*1-2/h6-7,10-11,14H,4-5,8-9,12-13,15H2,1-3H3;2*1-2H3
InChIKeyKRFSCYSBGKANQW-UHFFFAOYSA-N
XLogP6.66
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.60
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[(1-ethylcyclohexyl)methyl]-N,1-dimethylindole-2-carboxamide?
The IUPAC name of ethane;N-[(1-ethylcyclohexyl)methyl]-N,1-dimethylindole-2-carboxamide (CID 159217306) is ethane;N-[(1-ethylcyclohexyl)methyl]-N,1-dimethylindole-2-carboxamide.
What is the SMILES notation for ethane;N-[(1-ethylcyclohexyl)methyl]-N,1-dimethylindole-2-carboxamide?
The canonical SMILES for ethane;N-[(1-ethylcyclohexyl)methyl]-N,1-dimethylindole-2-carboxamide is CC.CC.CCC1(CN(C)C(=O)c2cc3ccccc3n2C)CCCCC1.
What is the InChIKey of ethane;N-[(1-ethylcyclohexyl)methyl]-N,1-dimethylindole-2-carboxamide?
The InChIKey is KRFSCYSBGKANQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O.2C2H6/c1-4-20(12-8-5-9-13-20)15-21(2)19(23)18-14-16-10-6-7-11-17(16)22(18)3;2*1-2/h6-7,10-11,14H,4-5,8-9,12-13,15H2,1-3H3;2*1-2H3.
What are the key properties of ethane;N-[(1-ethylcyclohexyl)methyl]-N,1-dimethylindole-2-carboxamide?
ethane;N-[(1-ethylcyclohexyl)methyl]-N,1-dimethylindole-2-carboxamide has a molecular weight of 372.60 g/mol, XLogP of 6.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(1-ethylcyclohexyl)methyl]-N,1-dimethylindole-2-carboxamide is sourced from PubChem (CID 159217306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).