N-[2-(4-hydroxyphenyl)ethyl]-2-(1-propan-2-ylindol-3-yl)acetamide

C21H24N2O2 — CID 71825768

IUPACN-[2-(4-hydroxyphenyl)ethyl]-2-(1-propan-2-ylindol-3-yl)acetamide
SMILESCC(C)n1cc(CC(=O)NCCc2ccc(O)cc2)c2ccccc21
InChIInChI=1S/C21H24N2O2/c1-15(2)23-14-17(19-5-3-4-6-20(19)23)13-21(25)22-12-11-16-7-9-18(24)10-8-16/h3-10,14-15,24H,11-13H2,1-2H3,(H,22,25)
InChIKeyWXEGBVAEWRKUHB-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.83
Rot. Bonds6

About N-[2-(4-hydroxyphenyl)ethyl]-2-(1-propan-2-ylindol-3-yl)acetamide

N-[2-(4-hydroxyphenyl)ethyl]-2-(1-propan-2-ylindol-3-yl)acetamide (PubChem CID 71825768) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)ethyl]-2-(1-propan-2-ylindol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)ethyl]-2-(1-propan-2-ylindol-3-yl)acetamide
PubChem CID71825768
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-[2-(4-hydroxyphenyl)ethyl]-2-(1-propan-2-ylindol-3-yl)acetamide
SMILESCC(C)n1cc(CC(=O)NCCc2ccc(O)cc2)c2ccccc21
InChIInChI=1S/C21H24N2O2/c1-15(2)23-14-17(19-5-3-4-6-20(19)23)13-21(25)22-12-11-16-7-9-18(24)10-8-16/h3-10,14-15,24H,11-13H2,1-2H3,(H,22,25)
InChIKeyWXEGBVAEWRKUHB-UHFFFAOYSA-N
XLogP3.83
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenyl)sulfonylethyl]-2-(1-propan-2-ylindol-3-yl)acetamide
CID 71704004
N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide
CID 11857553
N-[2-(dimethylamino)ethyl]-3-(1-propan-2-ylindol-3-yl)propanamide
CID 71702555
2-(4-methoxyphenyl)-N-[(1-propan-2-ylindol-3-yl)methyl]ethanamine
CID 124798455
N-[2-(4-hydroxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 7097288
N-[2-(1-methylindol-3-yl)ethyl]-2-phenylacetamide
CID 45069412
N-[2-(furan-2-yl)ethyl]-4-(1-propan-2-ylindol-3-yl)butanamide
CID 71709449
N-[(1-methylpyrrol-2-yl)methyl]-3-(1-propan-2-ylindol-3-yl)propanamide
CID 71706266
3-(1-propan-2-ylindol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 71709838
2-(1-methylindol-3-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 4523425
N-(2-aminoethyl)-2-(1-methylindol-3-yl)acetamide
CID 82289252
N-but-3-ynyl-2-(1-methylindol-3-yl)acetamide
CID 90537865

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-2-(1-propan-2-ylindol-3-yl)acetamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-2-(1-propan-2-ylindol-3-yl)acetamide (CID 71825768) is N-[2-(4-hydroxyphenyl)ethyl]-2-(1-propan-2-ylindol-3-yl)acetamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]-2-(1-propan-2-ylindol-3-yl)acetamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]-2-(1-propan-2-ylindol-3-yl)acetamide is CC(C)n1cc(CC(=O)NCCc2ccc(O)cc2)c2ccccc21.
What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]-2-(1-propan-2-ylindol-3-yl)acetamide?
The InChIKey is WXEGBVAEWRKUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-15(2)23-14-17(19-5-3-4-6-20(19)23)13-21(25)22-12-11-16-7-9-18(24)10-8-16/h3-10,14-15,24H,11-13H2,1-2H3,(H,22,25).
What are the key properties of N-[2-(4-hydroxyphenyl)ethyl]-2-(1-propan-2-ylindol-3-yl)acetamide?
N-[2-(4-hydroxyphenyl)ethyl]-2-(1-propan-2-ylindol-3-yl)acetamide has a molecular weight of 336.44 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)ethyl]-2-(1-propan-2-ylindol-3-yl)acetamide is sourced from PubChem (CID 71825768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).