N-[2-[5-(2-phenylethoxy)-1H-indol-3-yl]ethyl]acetamide

C20H22N2O2 — CID 56653119

IUPACN-[2-[5-(2-phenylethoxy)-1H-indol-3-yl]ethyl]acetamide
SMILESCC(=O)NCCc1c[nH]c2ccc(OCCc3ccccc3)cc12
InChIInChI=1S/C20H22N2O2/c1-15(23)21-11-9-17-14-22-20-8-7-18(13-19(17)20)24-12-10-16-5-3-2-4-6-16/h2-8,13-14,22H,9-12H2,1H3,(H,21,23)
InChIKeyGBCQDSHVHZGDFH-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.47
Rot. Bonds7

About N-[2-[5-(2-phenylethoxy)-1H-indol-3-yl]ethyl]acetamide

N-[2-[5-(2-phenylethoxy)-1H-indol-3-yl]ethyl]acetamide (PubChem CID 56653119) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[2-[5-(2-phenylethoxy)-1H-indol-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[5-(2-phenylethoxy)-1H-indol-3-yl]ethyl]acetamide
PubChem CID56653119
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[2-[5-(2-phenylethoxy)-1H-indol-3-yl]ethyl]acetamide
SMILESCC(=O)NCCc1c[nH]c2ccc(OCCc3ccccc3)cc12
InChIInChI=1S/C20H22N2O2/c1-15(23)21-11-9-17-14-22-20-8-7-18(13-19(17)20)24-12-10-16-5-3-2-4-6-16/h2-8,13-14,22H,9-12H2,1H3,(H,21,23)
InChIKeyGBCQDSHVHZGDFH-UHFFFAOYSA-N
XLogP3.47
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2-phenylethoxy)-1H-indol-3-yl]ethyl]acetamide?
The IUPAC name of N-[2-[5-(2-phenylethoxy)-1H-indol-3-yl]ethyl]acetamide (CID 56653119) is N-[2-[5-(2-phenylethoxy)-1H-indol-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[5-(2-phenylethoxy)-1H-indol-3-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[5-(2-phenylethoxy)-1H-indol-3-yl]ethyl]acetamide is CC(=O)NCCc1c[nH]c2ccc(OCCc3ccccc3)cc12.
What is the InChIKey of N-[2-[5-(2-phenylethoxy)-1H-indol-3-yl]ethyl]acetamide?
The InChIKey is GBCQDSHVHZGDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-15(23)21-11-9-17-14-22-20-8-7-18(13-19(17)20)24-12-10-16-5-3-2-4-6-16/h2-8,13-14,22H,9-12H2,1H3,(H,21,23).
What are the key properties of N-[2-[5-(2-phenylethoxy)-1H-indol-3-yl]ethyl]acetamide?
N-[2-[5-(2-phenylethoxy)-1H-indol-3-yl]ethyl]acetamide has a molecular weight of 322.41 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2-phenylethoxy)-1H-indol-3-yl]ethyl]acetamide is sourced from PubChem (CID 56653119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).