2-(1-prop-2-enoylindol-4-yl)oxy-N-[2-(2-prop-2-ynoxyethoxy)ethyl]acetamide

C20H22N2O5 — CID 171403790

IUPAC2-(1-prop-2-enoylindol-4-yl)oxy-N-[2-(2-prop-2-ynoxyethoxy)ethyl]acetamide
SMILESC#CCOCCOCCNC(=O)COc1cccc2c1ccn2C(=O)C=C
InChIInChI=1S/C20H22N2O5/c1-3-11-25-13-14-26-12-9-21-19(23)15-27-18-7-5-6-17-16(18)8-10-22(17)20(24)4-2/h1,4-8,10H,2,9,11-15H2,(H,21,23)
InChIKeyXCVQOIQWKPZSST-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.63
Rot. Bonds11

About 2-(1-prop-2-enoylindol-4-yl)oxy-N-[2-(2-prop-2-ynoxyethoxy)ethyl]acetamide

2-(1-prop-2-enoylindol-4-yl)oxy-N-[2-(2-prop-2-ynoxyethoxy)ethyl]acetamide (PubChem CID 171403790) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-(1-prop-2-enoylindol-4-yl)oxy-N-[2-(2-prop-2-ynoxyethoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-prop-2-enoylindol-4-yl)oxy-N-[2-(2-prop-2-ynoxyethoxy)ethyl]acetamide
PubChem CID171403790
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name2-(1-prop-2-enoylindol-4-yl)oxy-N-[2-(2-prop-2-ynoxyethoxy)ethyl]acetamide
SMILESC#CCOCCOCCNC(=O)COc1cccc2c1ccn2C(=O)C=C
InChIInChI=1S/C20H22N2O5/c1-3-11-25-13-14-26-12-9-21-19(23)15-27-18-7-5-6-17-16(18)8-10-22(17)20(24)4-2/h1,4-8,10H,2,9,11-15H2,(H,21,23)
InChIKeyXCVQOIQWKPZSST-UHFFFAOYSA-N
XLogP1.63
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-prop-2-enoylindol-4-yl)oxy-N-[2-(2-prop-2-ynoxyethoxy)ethyl]acetamide?
The IUPAC name of 2-(1-prop-2-enoylindol-4-yl)oxy-N-[2-(2-prop-2-ynoxyethoxy)ethyl]acetamide (CID 171403790) is 2-(1-prop-2-enoylindol-4-yl)oxy-N-[2-(2-prop-2-ynoxyethoxy)ethyl]acetamide.
What is the SMILES notation for 2-(1-prop-2-enoylindol-4-yl)oxy-N-[2-(2-prop-2-ynoxyethoxy)ethyl]acetamide?
The canonical SMILES for 2-(1-prop-2-enoylindol-4-yl)oxy-N-[2-(2-prop-2-ynoxyethoxy)ethyl]acetamide is C#CCOCCOCCNC(=O)COc1cccc2c1ccn2C(=O)C=C.
What is the InChIKey of 2-(1-prop-2-enoylindol-4-yl)oxy-N-[2-(2-prop-2-ynoxyethoxy)ethyl]acetamide?
The InChIKey is XCVQOIQWKPZSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-3-11-25-13-14-26-12-9-21-19(23)15-27-18-7-5-6-17-16(18)8-10-22(17)20(24)4-2/h1,4-8,10H,2,9,11-15H2,(H,21,23).
What are the key properties of 2-(1-prop-2-enoylindol-4-yl)oxy-N-[2-(2-prop-2-ynoxyethoxy)ethyl]acetamide?
2-(1-prop-2-enoylindol-4-yl)oxy-N-[2-(2-prop-2-ynoxyethoxy)ethyl]acetamide has a molecular weight of 370.41 g/mol, XLogP of 1.63, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-prop-2-enoylindol-4-yl)oxy-N-[2-(2-prop-2-ynoxyethoxy)ethyl]acetamide is sourced from PubChem (CID 171403790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).