N-[2-(5-cyano-1-methoxyindol-3-yl)ethyl]acetamide

C14H15N3O2 — CID 101450267

IUPACN-[2-(5-cyano-1-methoxyindol-3-yl)ethyl]acetamide
SMILESCOn1cc(CCNC(C)=O)c2cc(C#N)ccc21
InChIInChI=1S/C14H15N3O2/c1-10(18)16-6-5-12-9-17(19-2)14-4-3-11(8-15)7-13(12)14/h3-4,7,9H,5-6H2,1-2H3,(H,16,18)
InChIKeySOMSYASPIXAEPA-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.25
Rot. Bonds4

About N-[2-(5-cyano-1-methoxyindol-3-yl)ethyl]acetamide

N-[2-(5-cyano-1-methoxyindol-3-yl)ethyl]acetamide (PubChem CID 101450267) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-[2-(5-cyano-1-methoxyindol-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(5-cyano-1-methoxyindol-3-yl)ethyl]acetamide
PubChem CID101450267
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-[2-(5-cyano-1-methoxyindol-3-yl)ethyl]acetamide
SMILESCOn1cc(CCNC(C)=O)c2cc(C#N)ccc21
InChIInChI=1S/C14H15N3O2/c1-10(18)16-6-5-12-9-17(19-2)14-4-3-11(8-15)7-13(12)14/h3-4,7,9H,5-6H2,1-2H3,(H,16,18)
InChIKeySOMSYASPIXAEPA-UHFFFAOYSA-N
XLogP1.25
TPSA67.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[2-(5-acetamido-1-methoxyindol-3-yl)ethyl]carbamate
CID 102349315
2-hydroxy-N-[2-(1-methoxyindol-3-yl)ethyl]acetamide
CID 69330952
N-[2-(5-methoxy-1-propan-2-ylindol-3-yl)ethyl]acetamide
CID 86078316
sodium 4-[3-(2-acetamidoethyl)-5-methoxyindol-1-yl]-4-oxobutanoate
CID 162470818
N-[2-[2-(chloromethyl)-6-cyanobenzimidazol-1-yl]ethyl]acetamide
CID 104715458
3-(2-aminoethyl)-1-propan-2-ylindole-5-carbonitrile
CID 105484823
tert-butyl 5-cyano-3-ethylindole-1-carboxylate
CID 123592216
N-[2-(4-cyanoanilino)ethyl]acetamide
CID 43401184
N-[(6-cyano-1-ethylbenzimidazol-2-yl)methyl]acetamide
CID 139469862
N-[2-[1-(hydroxymethyl)indol-3-yl]ethyl]acetamide
CID 102296524
N-[2-(3-cyanophenoxy)ethyl]acetamide
CID 176934412
tert-butyl N-[2-(4-cyano-2-fluorophenyl)ethyl]carbamate
CID 141083538

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyano-1-methoxyindol-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-(5-cyano-1-methoxyindol-3-yl)ethyl]acetamide (CID 101450267) is N-[2-(5-cyano-1-methoxyindol-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(5-cyano-1-methoxyindol-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(5-cyano-1-methoxyindol-3-yl)ethyl]acetamide is COn1cc(CCNC(C)=O)c2cc(C#N)ccc21.
What is the InChIKey of N-[2-(5-cyano-1-methoxyindol-3-yl)ethyl]acetamide?
The InChIKey is SOMSYASPIXAEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10(18)16-6-5-12-9-17(19-2)14-4-3-11(8-15)7-13(12)14/h3-4,7,9H,5-6H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(5-cyano-1-methoxyindol-3-yl)ethyl]acetamide?
N-[2-(5-cyano-1-methoxyindol-3-yl)ethyl]acetamide has a molecular weight of 257.29 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyano-1-methoxyindol-3-yl)ethyl]acetamide is sourced from PubChem (CID 101450267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).