N-[1-(2-hydroxyethoxy)-2-methyl-3-phenylpropan-2-yl]-3-(1H-indol-3-yl)propanamide

C23H28N2O3 — CID 54089244

IUPACN-[1-(2-hydroxyethoxy)-2-methyl-3-phenylpropan-2-yl]-3-(1H-indol-3-yl)propanamide
SMILESCC(COCCO)(Cc1ccccc1)NC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C23H28N2O3/c1-23(17-28-14-13-26,15-18-7-3-2-4-8-18)25-22(27)12-11-19-16-24-21-10-6-5-9-20(19)21/h2-10,16,24,26H,11-15,17H2,1H3,(H,25,27)
InChIKeyUYPMUQFXYXPBIT-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.23
Rot. Bonds10

About N-[1-(2-hydroxyethoxy)-2-methyl-3-phenylpropan-2-yl]-3-(1H-indol-3-yl)propanamide

N-[1-(2-hydroxyethoxy)-2-methyl-3-phenylpropan-2-yl]-3-(1H-indol-3-yl)propanamide (PubChem CID 54089244) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[1-(2-hydroxyethoxy)-2-methyl-3-phenylpropan-2-yl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[1-(2-hydroxyethoxy)-2-methyl-3-phenylpropan-2-yl]-3-(1H-indol-3-yl)propanamide
PubChem CID54089244
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-[1-(2-hydroxyethoxy)-2-methyl-3-phenylpropan-2-yl]-3-(1H-indol-3-yl)propanamide
SMILESCC(COCCO)(Cc1ccccc1)NC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C23H28N2O3/c1-23(17-28-14-13-26,15-18-7-3-2-4-8-18)25-22(27)12-11-19-16-24-21-10-6-5-9-20(19)21/h2-10,16,24,26H,11-15,17H2,1H3,(H,25,27)
InChIKeyUYPMUQFXYXPBIT-UHFFFAOYSA-N
XLogP3.23
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(1H-indol-3-yl)propanoylamino]-3-methylbutanoic acid
CID 64673297
N-(3-hydroxy-2-methylbutan-2-yl)-3-(1H-indol-3-yl)propanamide
CID 115884530
N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 23938574
N-(2-ethoxyethyl)-3-(1H-indol-3-yl)propanamide
CID 43591658
2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol
CID 157231418
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
3-(1H-indol-3-yl)-N-(2-phenoxyethyl)propanamide
CID 4879910
3-(1H-indol-3-yl)-N-(1-methoxypropan-2-yl)propanamide
CID 18074487
3-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 4782159
2-[4-[3-(1H-indol-3-yl)propanoylamino]phenyl]-2-methylpropanoic acid
CID 167894479
2-(1H-indol-3-yl)ethanol;nitrous acid
CID 162624024
3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 582677

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxyethoxy)-2-methyl-3-phenylpropan-2-yl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-[1-(2-hydroxyethoxy)-2-methyl-3-phenylpropan-2-yl]-3-(1H-indol-3-yl)propanamide (CID 54089244) is N-[1-(2-hydroxyethoxy)-2-methyl-3-phenylpropan-2-yl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[1-(2-hydroxyethoxy)-2-methyl-3-phenylpropan-2-yl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-[1-(2-hydroxyethoxy)-2-methyl-3-phenylpropan-2-yl]-3-(1H-indol-3-yl)propanamide is CC(COCCO)(Cc1ccccc1)NC(=O)CCc1c[nH]c2ccccc12.
What is the InChIKey of N-[1-(2-hydroxyethoxy)-2-methyl-3-phenylpropan-2-yl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is UYPMUQFXYXPBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-23(17-28-14-13-26,15-18-7-3-2-4-8-18)25-22(27)12-11-19-16-24-21-10-6-5-9-20(19)21/h2-10,16,24,26H,11-15,17H2,1H3,(H,25,27).
What are the key properties of N-[1-(2-hydroxyethoxy)-2-methyl-3-phenylpropan-2-yl]-3-(1H-indol-3-yl)propanamide?
N-[1-(2-hydroxyethoxy)-2-methyl-3-phenylpropan-2-yl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 380.49 g/mol, XLogP of 3.23, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxyethoxy)-2-methyl-3-phenylpropan-2-yl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 54089244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).