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

C20H20N2O2 — CID 86264364

IUPACN-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1H-indole-2-carboxamide
SMILESO=C(NCC(O)(c1ccccc1)C1CC1)c1cc2ccccc2[nH]1
InChIInChI=1S/C20H20N2O2/c23-19(18-12-14-6-4-5-9-17(14)22-18)21-13-20(24,16-10-11-16)15-7-2-1-3-8-15/h1-9,12,16,22,24H,10-11,13H2,(H,21,23)
InChIKeyRDUFQOFMLFOCRE-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.20
Rot. Bonds5

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

N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1H-indole-2-carboxamide (PubChem CID 86264364) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1H-indole-2-carboxamide
PubChem CID86264364
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC NameN-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1H-indole-2-carboxamide
SMILESO=C(NCC(O)(c1ccccc1)C1CC1)c1cc2ccccc2[nH]1
InChIInChI=1S/C20H20N2O2/c23-19(18-12-14-6-4-5-9-17(14)22-18)21-13-20(24,16-10-11-16)15-7-2-1-3-8-15/h1-9,12,16,22,24H,10-11,13H2,(H,21,23)
InChIKeyRDUFQOFMLFOCRE-UHFFFAOYSA-N
XLogP3.20
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1H-indole-2-carboxamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1H-indole-2-carboxamide (CID 86264364) is N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1H-indole-2-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1H-indole-2-carboxamide is O=C(NCC(O)(c1ccccc1)C1CC1)c1cc2ccccc2[nH]1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1H-indole-2-carboxamide?
The InChIKey is RDUFQOFMLFOCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c23-19(18-12-14-6-4-5-9-17(14)22-18)21-13-20(24,16-10-11-16)15-7-2-1-3-8-15/h1-9,12,16,22,24H,10-11,13H2,(H,21,23).
What are the key properties of N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1H-indole-2-carboxamide?
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1H-indole-2-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 3.20, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 86264364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).