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

C19H26N2O5 — CID 113084647

IUPACN-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]oxane-4-carboxamide
SMILESCOc1cc2[nH]cc(CCNC(=O)C3CCOCC3)c2c(OC)c1OC
InChIInChI=1S/C19H26N2O5/c1-23-15-10-14-16(18(25-3)17(15)24-2)13(11-21-14)4-7-20-19(22)12-5-8-26-9-6-12/h10-12,21H,4-9H2,1-3H3,(H,20,22)
InChIKeyCTAFROCBCFDYIM-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.28
Rot. Bonds7

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

N-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]oxane-4-carboxamide (PubChem CID 113084647) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]oxane-4-carboxamide
PubChem CID113084647
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC NameN-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]oxane-4-carboxamide
SMILESCOc1cc2[nH]cc(CCNC(=O)C3CCOCC3)c2c(OC)c1OC
InChIInChI=1S/C19H26N2O5/c1-23-15-10-14-16(18(25-3)17(15)24-2)13(11-21-14)4-7-20-19(22)12-5-8-26-9-6-12/h10-12,21H,4-9H2,1-3H3,(H,20,22)
InChIKeyCTAFROCBCFDYIM-UHFFFAOYSA-N
XLogP2.28
TPSA81.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]cyclohexanecarboxamide
CID 113084605
3-methoxy-N-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]benzamide
CID 113084619
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
3-(4,5,6-trimethoxy-1H-indol-3-yl)propan-1-amine
CID 83968694
N-[2-(4-fluorophenyl)ethyl]-4,5,6-trimethoxy-1H-indole-3-carboxamide
CID 113206746
N-[2-(1H-indol-3-yl)ethyl]oxane-3-carboxamide
CID 110853395
6-amino-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]bicyclo[3.2.0]heptane-3-carboxamide
CID 154772694
(2R)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]oxolane-2-carboxamide
CID 7068767
N-[2-(4,6-difluoro-5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 610660
N-[2-[6-(chloromethoxy)-1H-indol-3-yl]ethyl]cyclopropanecarboxamide
CID 57250361
4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 112528864

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]oxane-4-carboxamide?
The IUPAC name of N-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]oxane-4-carboxamide (CID 113084647) is N-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]oxane-4-carboxamide.
What is the SMILES notation for N-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]oxane-4-carboxamide?
The canonical SMILES for N-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]oxane-4-carboxamide is COc1cc2[nH]cc(CCNC(=O)C3CCOCC3)c2c(OC)c1OC.
What is the InChIKey of N-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]oxane-4-carboxamide?
The InChIKey is CTAFROCBCFDYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-23-15-10-14-16(18(25-3)17(15)24-2)13(11-21-14)4-7-20-19(22)12-5-8-26-9-6-12/h10-12,21H,4-9H2,1-3H3,(H,20,22).
What are the key properties of N-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]oxane-4-carboxamide?
N-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]oxane-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]oxane-4-carboxamide is sourced from PubChem (CID 113084647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).