N-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]cyclohexanecarboxamide

C20H28N2O4 — CID 113084605

IUPACN-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]cyclohexanecarboxamide
SMILESCOc1cc2[nH]cc(CCNC(=O)C3CCCCC3)c2c(OC)c1OC
InChIInChI=1S/C20H28N2O4/c1-24-16-11-15-17(19(26-3)18(16)25-2)14(12-22-15)9-10-21-20(23)13-7-5-4-6-8-13/h11-13,22H,4-10H2,1-3H3,(H,21,23)
InChIKeyVDQTVZCSLAYQCR-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.43
Rot. Bonds7

About N-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]cyclohexanecarboxamide

N-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]cyclohexanecarboxamide (PubChem CID 113084605) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is N-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]cyclohexanecarboxamide
PubChem CID113084605
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC NameN-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]cyclohexanecarboxamide
SMILESCOc1cc2[nH]cc(CCNC(=O)C3CCCCC3)c2c(OC)c1OC
InChIInChI=1S/C20H28N2O4/c1-24-16-11-15-17(19(26-3)18(16)25-2)14(12-22-15)9-10-21-20(23)13-7-5-4-6-8-13/h11-13,22H,4-10H2,1-3H3,(H,21,23)
InChIKeyVDQTVZCSLAYQCR-UHFFFAOYSA-N
XLogP3.43
TPSA72.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]oxane-4-carboxamide
CID 113084647
3-methoxy-N-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]benzamide
CID 113084619
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]cyclohexanecarboxamide
CID 113083574
4,5,6-trimethoxy-N-[2-(2-methoxyphenyl)ethyl]-1H-indole-3-carboxamide
CID 113206747
N-butyl-2-(4,5,6-trimethoxy-1H-indol-3-yl)acetamide
CID 113211220
N-[2-(5-bromo-2-methoxyphenyl)ethyl]cyclopentanecarboxamide
CID 110788021
N-[(2,3,4-trimethoxyphenyl)methyl]cyclopentanecarboxamide
CID 95945674
N-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]cyclohexanecarboxamide
CID 110415534
3-(4,5,6-trimethoxy-1H-indol-3-yl)propan-1-amine
CID 83968694
N-[2-(6-chloro-1H-indol-3-yl)ethyl]cyclobutanecarboxamide
CID 113083858
N-[2-(6-phenylmethoxy-1H-indol-3-yl)ethyl]cyclohexanecarboxamide
CID 84580289
N-[2-(4-fluorophenyl)ethyl]-4,5,6-trimethoxy-1H-indole-3-carboxamide
CID 113206746

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]cyclohexanecarboxamide (CID 113084605) is N-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]cyclohexanecarboxamide is COc1cc2[nH]cc(CCNC(=O)C3CCCCC3)c2c(OC)c1OC.
What is the InChIKey of N-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]cyclohexanecarboxamide?
The InChIKey is VDQTVZCSLAYQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-24-16-11-15-17(19(26-3)18(16)25-2)14(12-22-15)9-10-21-20(23)13-7-5-4-6-8-13/h11-13,22H,4-10H2,1-3H3,(H,21,23).
What are the key properties of N-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]cyclohexanecarboxamide?
N-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]cyclohexanecarboxamide has a molecular weight of 360.45 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 113084605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).