N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide

C19H28N2O3 — CID 109389448

IUPACN-(3-hydroxy-2,2,4-trimethylpentyl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
SMILESCc1ccc2c(c1)N(C(=O)C(=O)NCC(C)(C)C(O)C(C)C)CC2
InChIInChI=1S/C19H28N2O3/c1-12(2)16(22)19(4,5)11-20-17(23)18(24)21-9-8-14-7-6-13(3)10-15(14)21/h6-7,10,12,16,22H,8-9,11H2,1-5H3,(H,20,23)
InChIKeyQCZKDJQQYJCKLU-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.04
Rot. Bonds4

About N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide

N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide (PubChem CID 109389448) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2,4-trimethylpentyl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
PubChem CID109389448
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-(3-hydroxy-2,2,4-trimethylpentyl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
SMILESCc1ccc2c(c1)N(C(=O)C(=O)NCC(C)(C)C(O)C(C)C)CC2
InChIInChI=1S/C19H28N2O3/c1-12(2)16(22)19(4,5)11-20-17(23)18(24)21-9-8-14-7-6-13(3)10-15(14)21/h6-7,10,12,16,22H,8-9,11H2,1-5H3,(H,20,23)
InChIKeyQCZKDJQQYJCKLU-UHFFFAOYSA-N
XLogP2.04
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethyl-2-hydroxybutyl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 48893825
N-(1-hydroxypropan-2-yl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 110910414
N-(3-hydroxy-3-phenylpropyl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 111490965
2-amino-1-(6-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 131036223
N'-(2,3-dihydro-1H-inden-5-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)oxamide
CID 109389453
N-(2-hydroxy-2,3-dimethylbutyl)-2-(4-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 111435729
N-[(2R,3R)-3-hydroxy-1-(6-methyl-2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 99777170
1-(6-fluoro-2,3-dihydroindol-1-yl)-3,4,4-trimethylpentan-1-one
CID 86901344
2-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 126815613
tert-butyl 7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 72710357
2-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)acetic acid
CID 83753824
1-(6-methyl-2,3-dihydroindol-1-yl)-3-(4-nitropyrazol-1-yl)propan-2-ol
CID 111496299

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide?
The IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide (CID 109389448) is N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide?
The canonical SMILES for N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide is Cc1ccc2c(c1)N(C(=O)C(=O)NCC(C)(C)C(O)C(C)C)CC2.
What is the InChIKey of N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide?
The InChIKey is QCZKDJQQYJCKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-12(2)16(22)19(4,5)11-20-17(23)18(24)21-9-8-14-7-6-13(3)10-15(14)21/h6-7,10,12,16,22H,8-9,11H2,1-5H3,(H,20,23).
What are the key properties of N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide?
N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide has a molecular weight of 332.44 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide is sourced from PubChem (CID 109389448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).