N-(2-hydroxy-1-phenylethyl)-2-(1H-indol-3-yl)-2-oxoacetamide

C18H16N2O3 — CID 11109608

IUPACN-(2-hydroxy-1-phenylethyl)-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESO=C(NC(CO)c1ccccc1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C18H16N2O3/c21-11-16(12-6-2-1-3-7-12)20-18(23)17(22)14-10-19-15-9-5-4-8-13(14)15/h1-10,16,19,21H,11H2,(H,20,23)
InChIKeyXLHPCZOYZYWPQZ-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.20
Rot. Bonds5

About N-(2-hydroxy-1-phenylethyl)-2-(1H-indol-3-yl)-2-oxoacetamide

N-(2-hydroxy-1-phenylethyl)-2-(1H-indol-3-yl)-2-oxoacetamide (PubChem CID 11109608) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-(2-hydroxy-1-phenylethyl)-2-(1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-phenylethyl)-2-(1H-indol-3-yl)-2-oxoacetamide
PubChem CID11109608
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC NameN-(2-hydroxy-1-phenylethyl)-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESO=C(NC(CO)c1ccccc1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C18H16N2O3/c21-11-16(12-6-2-1-3-7-12)20-18(23)17(22)14-10-19-15-9-5-4-8-13(14)15/h1-10,16,19,21H,11H2,(H,20,23)
InChIKeyXLHPCZOYZYWPQZ-UHFFFAOYSA-N
XLogP2.20
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-1-phenylethyl)-1H-indole-3-carboxamide
CID 63182576
N-[(2R)-butan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 7117283
N-[(2S)-4-(dimethylamino)butan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 66664820
1-(2-hydroxy-1-phenylethyl)-3-[3-(1H-indol-3-yl)propyl]urea
CID 111108824
2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]prop-2-enamide
CID 167776266
N-[(2R)-5-(diethylamino)pentan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 7117299
2-hydroxy-N-[(1S)-2-hydroxy-1-(4-hydroxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 101350086
N-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 103945014
N-[(1R)-1-cyclohexylethyl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 11044731
3-(1H-indol-3-yl)-2-phenylpropanoic acid
CID 71683616
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 101138067
4-amino-2-(1H-indole-3-carbonylamino)-4-oxobutanoic acid
CID 24702715

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-phenylethyl)-2-(1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-(2-hydroxy-1-phenylethyl)-2-(1H-indol-3-yl)-2-oxoacetamide (CID 11109608) is N-(2-hydroxy-1-phenylethyl)-2-(1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-(2-hydroxy-1-phenylethyl)-2-(1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-(2-hydroxy-1-phenylethyl)-2-(1H-indol-3-yl)-2-oxoacetamide is O=C(NC(CO)c1ccccc1)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-(2-hydroxy-1-phenylethyl)-2-(1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is XLHPCZOYZYWPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c21-11-16(12-6-2-1-3-7-12)20-18(23)17(22)14-10-19-15-9-5-4-8-13(14)15/h1-10,16,19,21H,11H2,(H,20,23).
What are the key properties of N-(2-hydroxy-1-phenylethyl)-2-(1H-indol-3-yl)-2-oxoacetamide?
N-(2-hydroxy-1-phenylethyl)-2-(1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 308.34 g/mol, XLogP of 2.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-phenylethyl)-2-(1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 11109608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).