N-(2-hydroxy-1-phenylethyl)-1H-indole-3-carboxamide

C17H16N2O2 — CID 63182576

IUPACN-(2-hydroxy-1-phenylethyl)-1H-indole-3-carboxamide
SMILESO=C(NC(CO)c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C17H16N2O2/c20-11-16(12-6-2-1-3-7-12)19-17(21)14-10-18-15-9-5-4-8-13(14)15/h1-10,16,18,20H,11H2,(H,19,21)
InChIKeyGOWAACVHQKFMPJ-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.63
Rot. Bonds4

About N-(2-hydroxy-1-phenylethyl)-1H-indole-3-carboxamide

N-(2-hydroxy-1-phenylethyl)-1H-indole-3-carboxamide (PubChem CID 63182576) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(2-hydroxy-1-phenylethyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-phenylethyl)-1H-indole-3-carboxamide
PubChem CID63182576
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-(2-hydroxy-1-phenylethyl)-1H-indole-3-carboxamide
SMILESO=C(NC(CO)c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C17H16N2O2/c20-11-16(12-6-2-1-3-7-12)19-17(21)14-10-18-15-9-5-4-8-13(14)15/h1-10,16,18,20H,11H2,(H,19,21)
InChIKeyGOWAACVHQKFMPJ-UHFFFAOYSA-N
XLogP2.63
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxy-1-phenylethyl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 11109608
N-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 103945014
N-(1,2,2,2-tetrachloroethyl)-1H-indole-3-carboxamide
CID 169027247
N-[(1R)-2-hydroxy-1-phenylethyl]-2-iodobenzamide
CID 103772803
N-(4-methylpentan-2-yl)-1H-indole-3-carboxamide
CID 43582090
N-butan-2-yl-1H-indole-3-carboxamide
CID 43399203
2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 39374837
2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 3315693
4-amino-2-(1H-indole-3-carbonylamino)-4-oxobutanoic acid
CID 24702715
N-[(1S)-2-hydroxy-1-phenylethyl]-2-methyl-1H-indole-3-carboxamide
CID 110001950
1-(2-hydroxy-1-phenylethyl)-3-[3-(1H-indol-3-yl)propyl]urea
CID 111108824
5-(benzhydrylamino)-4-(1H-indole-3-carbonylamino)-5-oxopentanoic acid
CID 67946126

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-phenylethyl)-1H-indole-3-carboxamide?
The IUPAC name of N-(2-hydroxy-1-phenylethyl)-1H-indole-3-carboxamide (CID 63182576) is N-(2-hydroxy-1-phenylethyl)-1H-indole-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-1-phenylethyl)-1H-indole-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-1-phenylethyl)-1H-indole-3-carboxamide is O=C(NC(CO)c1ccccc1)c1c[nH]c2ccccc12.
What is the InChIKey of N-(2-hydroxy-1-phenylethyl)-1H-indole-3-carboxamide?
The InChIKey is GOWAACVHQKFMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c20-11-16(12-6-2-1-3-7-12)19-17(21)14-10-18-15-9-5-4-8-13(14)15/h1-10,16,18,20H,11H2,(H,19,21).
What are the key properties of N-(2-hydroxy-1-phenylethyl)-1H-indole-3-carboxamide?
N-(2-hydroxy-1-phenylethyl)-1H-indole-3-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-phenylethyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 63182576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).