N-[2-[6-[(3,4,5-trihydroxyoxan-2-yl)methyl]-1H-indol-3-yl]ethyl]acetamide

C18H24N2O5 — CID 166056743

IUPACN-[2-[6-[(3,4,5-trihydroxyoxan-2-yl)methyl]-1H-indol-3-yl]ethyl]acetamide
SMILESCC(=O)NCCc1c[nH]c2cc(CC3OCC(O)C(O)C3O)ccc12
InChIInChI=1S/C18H24N2O5/c1-10(21)19-5-4-12-8-20-14-6-11(2-3-13(12)14)7-16-18(24)17(23)15(22)9-25-16/h2-3,6,8,15-18,20,22-24H,4-5,7,9H2,1H3,(H,19,21)
InChIKeyLAOPVPAQKKGOBT-UHFFFAOYSA-N
MW348.40 g/mol
LogP-0.13
Rot. Bonds5

About N-[2-[6-[(3,4,5-trihydroxyoxan-2-yl)methyl]-1H-indol-3-yl]ethyl]acetamide

N-[2-[6-[(3,4,5-trihydroxyoxan-2-yl)methyl]-1H-indol-3-yl]ethyl]acetamide (PubChem CID 166056743) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[2-[6-[(3,4,5-trihydroxyoxan-2-yl)methyl]-1H-indol-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[6-[(3,4,5-trihydroxyoxan-2-yl)methyl]-1H-indol-3-yl]ethyl]acetamide
PubChem CID166056743
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC NameN-[2-[6-[(3,4,5-trihydroxyoxan-2-yl)methyl]-1H-indol-3-yl]ethyl]acetamide
SMILESCC(=O)NCCc1c[nH]c2cc(CC3OCC(O)C(O)C3O)ccc12
InChIInChI=1S/C18H24N2O5/c1-10(21)19-5-4-12-8-20-14-6-11(2-3-13(12)14)7-16-18(24)17(23)15(22)9-25-16/h2-3,6,8,15-18,20,22-24H,4-5,7,9H2,1H3,(H,19,21)
InChIKeyLAOPVPAQKKGOBT-UHFFFAOYSA-N
XLogP-0.13
TPSA114.81 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 5-0.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(2-acetamidoethyl)-1H-indol-6-yl] acetate
CID 169222411
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 49408649
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
(2R)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propanamide
CID 119280010
N-[2-(7-deuterio-5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 87897806
1-cyclohexyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
CID 86875661
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-methylpiperidine-3-carboxamide
CID 172894946
1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
CID 86880994
N-[4-(1H-indol-3-yl)butyl]acetamide
CID 132534601
N-[2-(5,7-dimethyl-1H-indol-3-yl)ethyl]acetamide
CID 167080571
N-[2-(6-methoxy-1H-indol-3-yl)ethyl]furan-2-carboxamide
CID 699102
N-[2-[6-(chloromethoxy)-1H-indol-3-yl]ethyl]cyclopropanecarboxamide
CID 57250361

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-[(3,4,5-trihydroxyoxan-2-yl)methyl]-1H-indol-3-yl]ethyl]acetamide?
The IUPAC name of N-[2-[6-[(3,4,5-trihydroxyoxan-2-yl)methyl]-1H-indol-3-yl]ethyl]acetamide (CID 166056743) is N-[2-[6-[(3,4,5-trihydroxyoxan-2-yl)methyl]-1H-indol-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[6-[(3,4,5-trihydroxyoxan-2-yl)methyl]-1H-indol-3-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[6-[(3,4,5-trihydroxyoxan-2-yl)methyl]-1H-indol-3-yl]ethyl]acetamide is CC(=O)NCCc1c[nH]c2cc(CC3OCC(O)C(O)C3O)ccc12.
What is the InChIKey of N-[2-[6-[(3,4,5-trihydroxyoxan-2-yl)methyl]-1H-indol-3-yl]ethyl]acetamide?
The InChIKey is LAOPVPAQKKGOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-10(21)19-5-4-12-8-20-14-6-11(2-3-13(12)14)7-16-18(24)17(23)15(22)9-25-16/h2-3,6,8,15-18,20,22-24H,4-5,7,9H2,1H3,(H,19,21).
What are the key properties of N-[2-[6-[(3,4,5-trihydroxyoxan-2-yl)methyl]-1H-indol-3-yl]ethyl]acetamide?
N-[2-[6-[(3,4,5-trihydroxyoxan-2-yl)methyl]-1H-indol-3-yl]ethyl]acetamide has a molecular weight of 348.40 g/mol, XLogP of -0.13, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-[(3,4,5-trihydroxyoxan-2-yl)methyl]-1H-indol-3-yl]ethyl]acetamide is sourced from PubChem (CID 166056743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).