cyclohexane;2-[(5-methoxy-1H-indol-6-yl)oxy]acetamide;(2S)-oxolane-2-carboxamide

C22H33N3O5 — CID 145244112

IUPACcyclohexane;2-[(5-methoxy-1H-indol-6-yl)oxy]acetamide;(2S)-oxolane-2-carboxamide
SMILESC1CCCCC1.COc1cc2cc[nH]c2cc1OCC(N)=O.NC(=O)[C@@H]1CCCO1
InChIInChI=1S/C11H12N2O3.C6H12.C5H9NO2/c1-15-9-4-7-2-3-13-8(7)5-10(9)16-6-11(12)14;1-2-4-6-5-3-1;6-5(7)4-2-1-3-8-4/h2-5,13H,6H2,1H3,(H2,12,14);1-6H2;4H,1-3H2,(H2,6,7)/t;;4-/m..0/s1
InChIKeyOYYPIPXJBNTTTJ-MCIOAOFGSA-N
MW419.52 g/mol
LogP3.03
Rot. Bonds5

About cyclohexane;2-[(5-methoxy-1H-indol-6-yl)oxy]acetamide;(2S)-oxolane-2-carboxamide

cyclohexane;2-[(5-methoxy-1H-indol-6-yl)oxy]acetamide;(2S)-oxolane-2-carboxamide (PubChem CID 145244112) has the molecular formula C22H33N3O5 and a molecular weight of 419.52 g/mol. Its IUPAC name is cyclohexane;2-[(5-methoxy-1H-indol-6-yl)oxy]acetamide;(2S)-oxolane-2-carboxamide.

Molecular Properties

Compound Namecyclohexane;2-[(5-methoxy-1H-indol-6-yl)oxy]acetamide;(2S)-oxolane-2-carboxamide
PubChem CID145244112
Molecular FormulaC22H33N3O5
Molecular Weight419.52 g/mol
Exact Mass419.24
IUPAC Namecyclohexane;2-[(5-methoxy-1H-indol-6-yl)oxy]acetamide;(2S)-oxolane-2-carboxamide
SMILESC1CCCCC1.COc1cc2cc[nH]c2cc1OCC(N)=O.NC(=O)[C@@H]1CCCO1
InChIInChI=1S/C11H12N2O3.C6H12.C5H9NO2/c1-15-9-4-7-2-3-13-8(7)5-10(9)16-6-11(12)14;1-2-4-6-5-3-1;6-5(7)4-2-1-3-8-4/h2-5,13H,6H2,1H3,(H2,12,14);1-6H2;4H,1-3H2,(H2,6,7)/t;;4-/m..0/s1
InChIKeyOYYPIPXJBNTTTJ-MCIOAOFGSA-N
XLogP3.03
TPSA129.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclohexane;2-[(5-methoxy-1H-indol-6-yl)oxy]acetamide;(2S)-oxolane-2-carboxamide?
The IUPAC name of cyclohexane;2-[(5-methoxy-1H-indol-6-yl)oxy]acetamide;(2S)-oxolane-2-carboxamide (CID 145244112) is cyclohexane;2-[(5-methoxy-1H-indol-6-yl)oxy]acetamide;(2S)-oxolane-2-carboxamide.
What is the SMILES notation for cyclohexane;2-[(5-methoxy-1H-indol-6-yl)oxy]acetamide;(2S)-oxolane-2-carboxamide?
The canonical SMILES for cyclohexane;2-[(5-methoxy-1H-indol-6-yl)oxy]acetamide;(2S)-oxolane-2-carboxamide is C1CCCCC1.COc1cc2cc[nH]c2cc1OCC(N)=O.NC(=O)[C@@H]1CCCO1.
What is the InChIKey of cyclohexane;2-[(5-methoxy-1H-indol-6-yl)oxy]acetamide;(2S)-oxolane-2-carboxamide?
The InChIKey is OYYPIPXJBNTTTJ-MCIOAOFGSA-N. The full InChI is InChI=1S/C11H12N2O3.C6H12.C5H9NO2/c1-15-9-4-7-2-3-13-8(7)5-10(9)16-6-11(12)14;1-2-4-6-5-3-1;6-5(7)4-2-1-3-8-4/h2-5,13H,6H2,1H3,(H2,12,14);1-6H2;4H,1-3H2,(H2,6,7)/t;;4-/m..0/s1.
What are the key properties of cyclohexane;2-[(5-methoxy-1H-indol-6-yl)oxy]acetamide;(2S)-oxolane-2-carboxamide?
cyclohexane;2-[(5-methoxy-1H-indol-6-yl)oxy]acetamide;(2S)-oxolane-2-carboxamide has a molecular weight of 419.52 g/mol, XLogP of 3.03, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;2-[(5-methoxy-1H-indol-6-yl)oxy]acetamide;(2S)-oxolane-2-carboxamide is sourced from PubChem (CID 145244112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).