N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-methyl-2,3-dihydroindole-1-carboxamide

C18H28N2O2 — CID 111755095

IUPACN-[2-(2-hydroxyethyl)-4-methylpentyl]-2-methyl-2,3-dihydroindole-1-carboxamide
SMILESCC(C)CC(CCO)CNC(=O)N1c2ccccc2CC1C
InChIInChI=1S/C18H28N2O2/c1-13(2)10-15(8-9-21)12-19-18(22)20-14(3)11-16-6-4-5-7-17(16)20/h4-7,13-15,21H,8-12H2,1-3H3,(H,19,22)
InChIKeyHORYFQYDGSLELM-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.19
Rot. Bonds6

About N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-methyl-2,3-dihydroindole-1-carboxamide

N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-methyl-2,3-dihydroindole-1-carboxamide (PubChem CID 111755095) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-methyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)-4-methylpentyl]-2-methyl-2,3-dihydroindole-1-carboxamide
PubChem CID111755095
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-[2-(2-hydroxyethyl)-4-methylpentyl]-2-methyl-2,3-dihydroindole-1-carboxamide
SMILESCC(C)CC(CCO)CNC(=O)N1c2ccccc2CC1C
InChIInChI=1S/C18H28N2O2/c1-13(2)10-15(8-9-21)12-19-18(22)20-14(3)11-16-6-4-5-7-17(16)20/h4-7,13-15,21H,8-12H2,1-3H3,(H,19,22)
InChIKeyHORYFQYDGSLELM-UHFFFAOYSA-N
XLogP3.19
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-methyl-2,3-dihydroindole-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

4-methyl-5-[(2-methyl-2,3-dihydroindole-1-carbonyl)amino]pentanoic acid
CID 82014555
N-(3-methylbutyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 47333098
N-(2-chloroacetyl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 43146117
2-methyl-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one;sulfane
CID 160861486
2-methyl-N-(4-propan-2-ylphenyl)-2,3-dihydroindole-1-carboxamide
CID 108991651
N-[2-(4-fluorophenyl)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108902174
(2S)-1-(2,3-dimethylbutylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 64599026
(2S)-2-chloro-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 2432568
2-methyl-N-[3-(4-methylphenyl)-3-oxopropyl]-2,3-dihydroindole-1-carboxamide
CID 108874681
N-[(3-bromophenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 60605582
2-[4-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopentan-2-yl]isoindole-1,3-dione
CID 110838972
N-[(3-chlorophenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 110301242

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-methyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-methyl-2,3-dihydroindole-1-carboxamide (CID 111755095) is N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-methyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-methyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-methyl-2,3-dihydroindole-1-carboxamide is CC(C)CC(CCO)CNC(=O)N1c2ccccc2CC1C.
What is the InChIKey of N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-methyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is HORYFQYDGSLELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-13(2)10-15(8-9-21)12-19-18(22)20-14(3)11-16-6-4-5-7-17(16)20/h4-7,13-15,21H,8-12H2,1-3H3,(H,19,22).
What are the key properties of N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-methyl-2,3-dihydroindole-1-carboxamide?
N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-methyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 304.43 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-methyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 111755095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).