N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2,2-dimethylpropanamide

C16H22N2O2 — CID 124843514

IUPACN-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2,2-dimethylpropanamide
SMILESCn1ccc2cc([C@H](O)CNC(=O)C(C)(C)C)ccc21
InChIInChI=1S/C16H22N2O2/c1-16(2,3)15(20)17-10-14(19)12-5-6-13-11(9-12)7-8-18(13)4/h5-9,14,19H,10H2,1-4H3,(H,17,20)/t14-/m1/s1
InChIKeyDVZQQLXHYZBXSE-CQSZACIVSA-N
MW274.36 g/mol
LogP2.37
Rot. Bonds3

About N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2,2-dimethylpropanamide

N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2,2-dimethylpropanamide (PubChem CID 124843514) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2,2-dimethylpropanamide
PubChem CID124843514
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2,2-dimethylpropanamide
SMILESCn1ccc2cc([C@H](O)CNC(=O)C(C)(C)C)ccc21
InChIInChI=1S/C16H22N2O2/c1-16(2,3)15(20)17-10-14(19)12-5-6-13-11(9-12)7-8-18(13)4/h5-9,14,19H,10H2,1-4H3,(H,17,20)/t14-/m1/s1
InChIKeyDVZQQLXHYZBXSE-CQSZACIVSA-N
XLogP2.37
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2,2-dimethylpropanamide 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

N'-tert-butyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide
CID 121179966
N'-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N-(2-methylpropyl)oxamide
CID 121179967
methyl 4-[[2-hydroxy-2-(1-methylindol-5-yl)ethyl]carbamoyl]benzoate
CID 91817661
N'-(4-acetamidophenyl)-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide
CID 121180011
2,6-difluoro-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide
CID 124843487
2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]acetamide
CID 124760949
4-ethyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide
CID 121179729
N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2-iodobenzamide
CID 121179834
1-(3,4-dimethylphenyl)-3-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]urea
CID 124855662
N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N'-(2-methylphenyl)oxamide
CID 121179976
N'-cycloheptyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide
CID 121179980
5-bromo-2-chloro-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide
CID 121179831

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2,2-dimethylpropanamide (CID 124843514) is N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2,2-dimethylpropanamide is Cn1ccc2cc([C@H](O)CNC(=O)C(C)(C)C)ccc21.
What is the InChIKey of N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2,2-dimethylpropanamide?
The InChIKey is DVZQQLXHYZBXSE-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-16(2,3)15(20)17-10-14(19)12-5-6-13-11(9-12)7-8-18(13)4/h5-9,14,19H,10H2,1-4H3,(H,17,20)/t14-/m1/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2,2-dimethylpropanamide?
N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2,2-dimethylpropanamide has a molecular weight of 274.36 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 124843514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).