N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide

C23H21N3O3 — CID 58693969

IUPACN-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide
SMILESCCn1c(C#Cc2ccc(NC(=O)COC)cc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C23H21N3O3/c1-4-26-21(20(14-24)19-11-10-18(29-3)13-22(19)26)12-7-16-5-8-17(9-6-16)25-23(27)15-28-2/h5-6,8-11,13H,4,15H2,1-3H3,(H,25,27)
InChIKeyUZAFGVIYAXHOCQ-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.53
Rot. Bonds5

About N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide

N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide (PubChem CID 58693969) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide
PubChem CID58693969
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC NameN-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide
SMILESCCn1c(C#Cc2ccc(NC(=O)COC)cc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C23H21N3O3/c1-4-26-21(20(14-24)19-11-10-18(29-3)13-22(19)26)12-7-16-5-8-17(9-6-16)25-23(27)15-28-2/h5-6,8-11,13H,4,15H2,1-3H3,(H,25,27)
InChIKeyUZAFGVIYAXHOCQ-UHFFFAOYSA-N
XLogP3.53
TPSA76.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide?
The IUPAC name of N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide (CID 58693969) is N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide.
What is the SMILES notation for N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide?
The canonical SMILES for N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide is CCn1c(C#Cc2ccc(NC(=O)COC)cc2)c(C#N)c2ccc(OC)cc21.
What is the InChIKey of N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide?
The InChIKey is UZAFGVIYAXHOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-4-26-21(20(14-24)19-11-10-18(29-3)13-22(19)26)12-7-16-5-8-17(9-6-16)25-23(27)15-28-2/h5-6,8-11,13H,4,15H2,1-3H3,(H,25,27).
What are the key properties of N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide?
N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide has a molecular weight of 387.44 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide is sourced from PubChem (CID 58693969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).