[3-(2-cyclohexylethyl)-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-6-yl] N,N-dimethylcarbamate

C23H34N2O2 — CID 19021430

IUPAC[3-(2-cyclohexylethyl)-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-6-yl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1cccc2c1CCC1C2CCN1CCC1CCCCC1
InChIInChI=1S/C23H34N2O2/c1-24(2)23(26)27-22-10-6-9-18-19-14-16-25(21(19)12-11-20(18)22)15-13-17-7-4-3-5-8-17/h6,9-10,17,19,21H,3-5,7-8,11-16H2,1-2H3
InChIKeyGXMHAHSLRYIDHI-UHFFFAOYSA-N
MW370.54 g/mol
LogP4.82
Rot. Bonds4

About [3-(2-cyclohexylethyl)-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-6-yl] N,N-dimethylcarbamate

[3-(2-cyclohexylethyl)-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-6-yl] N,N-dimethylcarbamate (PubChem CID 19021430) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is [3-(2-cyclohexylethyl)-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-6-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[3-(2-cyclohexylethyl)-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-6-yl] N,N-dimethylcarbamate
PubChem CID19021430
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC Name[3-(2-cyclohexylethyl)-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-6-yl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1cccc2c1CCC1C2CCN1CCC1CCCCC1
InChIInChI=1S/C23H34N2O2/c1-24(2)23(26)27-22-10-6-9-18-19-14-16-25(21(19)12-11-20(18)22)15-13-17-7-4-3-5-8-17/h6,9-10,17,19,21H,3-5,7-8,11-16H2,1-2H3
InChIKeyGXMHAHSLRYIDHI-UHFFFAOYSA-N
XLogP4.82
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(2-cyclohexylethyl)-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-6-yl] N,N-dimethylcarbamate?
The IUPAC name of [3-(2-cyclohexylethyl)-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-6-yl] N,N-dimethylcarbamate (CID 19021430) is [3-(2-cyclohexylethyl)-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-6-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [3-(2-cyclohexylethyl)-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-6-yl] N,N-dimethylcarbamate?
The canonical SMILES for [3-(2-cyclohexylethyl)-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-6-yl] N,N-dimethylcarbamate is CN(C)C(=O)Oc1cccc2c1CCC1C2CCN1CCC1CCCCC1.
What is the InChIKey of [3-(2-cyclohexylethyl)-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-6-yl] N,N-dimethylcarbamate?
The InChIKey is GXMHAHSLRYIDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-24(2)23(26)27-22-10-6-9-18-19-14-16-25(21(19)12-11-20(18)22)15-13-17-7-4-3-5-8-17/h6,9-10,17,19,21H,3-5,7-8,11-16H2,1-2H3.
What are the key properties of [3-(2-cyclohexylethyl)-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-6-yl] N,N-dimethylcarbamate?
[3-(2-cyclohexylethyl)-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-6-yl] N,N-dimethylcarbamate has a molecular weight of 370.54 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-cyclohexylethyl)-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-6-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 19021430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).