N-(1-hydroxy-1-phenylpentan-2-yl)-1H-indole-6-carboxamide

C20H22N2O2 — CID 164617068

IUPACN-(1-hydroxy-1-phenylpentan-2-yl)-1H-indole-6-carboxamide
SMILESCCCC(NC(=O)c1ccc2cc[nH]c2c1)C(O)c1ccccc1
InChIInChI=1S/C20H22N2O2/c1-2-6-17(19(23)15-7-4-3-5-8-15)22-20(24)16-10-9-14-11-12-21-18(14)13-16/h3-5,7-13,17,19,21,23H,2,6H2,1H3,(H,22,24)
InChIKeyLKIKBGZDKDWNBO-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.80
Rot. Bonds6

About N-(1-hydroxy-1-phenylpentan-2-yl)-1H-indole-6-carboxamide

N-(1-hydroxy-1-phenylpentan-2-yl)-1H-indole-6-carboxamide (PubChem CID 164617068) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-(1-hydroxy-1-phenylpentan-2-yl)-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-1-phenylpentan-2-yl)-1H-indole-6-carboxamide
PubChem CID164617068
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-(1-hydroxy-1-phenylpentan-2-yl)-1H-indole-6-carboxamide
SMILESCCCC(NC(=O)c1ccc2cc[nH]c2c1)C(O)c1ccccc1
InChIInChI=1S/C20H22N2O2/c1-2-6-17(19(23)15-7-4-3-5-8-15)22-20(24)16-10-9-14-11-12-21-18(14)13-16/h3-5,7-13,17,19,21,23H,2,6H2,1H3,(H,22,24)
InChIKeyLKIKBGZDKDWNBO-UHFFFAOYSA-N
XLogP3.80
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze N-(1-hydroxy-1-phenylpentan-2-yl)-1H-indole-6-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-(1-hydroxy-1-phenylpentan-2-yl)-1H-indole-6-carboxamide?
The IUPAC name of N-(1-hydroxy-1-phenylpentan-2-yl)-1H-indole-6-carboxamide (CID 164617068) is N-(1-hydroxy-1-phenylpentan-2-yl)-1H-indole-6-carboxamide.
What is the SMILES notation for N-(1-hydroxy-1-phenylpentan-2-yl)-1H-indole-6-carboxamide?
The canonical SMILES for N-(1-hydroxy-1-phenylpentan-2-yl)-1H-indole-6-carboxamide is CCCC(NC(=O)c1ccc2cc[nH]c2c1)C(O)c1ccccc1.
What is the InChIKey of N-(1-hydroxy-1-phenylpentan-2-yl)-1H-indole-6-carboxamide?
The InChIKey is LKIKBGZDKDWNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-2-6-17(19(23)15-7-4-3-5-8-15)22-20(24)16-10-9-14-11-12-21-18(14)13-16/h3-5,7-13,17,19,21,23H,2,6H2,1H3,(H,22,24).
What are the key properties of N-(1-hydroxy-1-phenylpentan-2-yl)-1H-indole-6-carboxamide?
N-(1-hydroxy-1-phenylpentan-2-yl)-1H-indole-6-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.80, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-1-phenylpentan-2-yl)-1H-indole-6-carboxamide is sourced from PubChem (CID 164617068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).