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

C17H24N2O3 — CID 111435729

IUPACN-(2-hydroxy-2,3-dimethylbutyl)-2-(4-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
SMILESCc1cccc2c1CCN2C(=O)C(=O)NCC(C)(O)C(C)C
InChIInChI=1S/C17H24N2O3/c1-11(2)17(4,22)10-18-15(20)16(21)19-9-8-13-12(3)6-5-7-14(13)19/h5-7,11,22H,8-10H2,1-4H3,(H,18,20)
InChIKeyPRCMHFROJBTOHX-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.41
Rot. Bonds3

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

N-(2-hydroxy-2,3-dimethylbutyl)-2-(4-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide (PubChem CID 111435729) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dimethylbutyl)-2-(4-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dimethylbutyl)-2-(4-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
PubChem CID111435729
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-(2-hydroxy-2,3-dimethylbutyl)-2-(4-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
SMILESCc1cccc2c1CCN2C(=O)C(=O)NCC(C)(O)C(C)C
InChIInChI=1S/C17H24N2O3/c1-11(2)17(4,22)10-18-15(20)16(21)19-9-8-13-12(3)6-5-7-14(13)19/h5-7,11,22H,8-10H2,1-4H3,(H,18,20)
InChIKeyPRCMHFROJBTOHX-UHFFFAOYSA-N
XLogP1.41
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.41
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-(3-hydroxy-2-methylpropyl)-2-(4-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 48881758
N-(2-hydroxy-2,3-dimethylbutyl)-2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 111435771
methyl 5-(4-methyl-2,3-dihydroindol-1-yl)-5-oxopentanoate
CID 75523169
N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 109389448
N-(2-hydroxy-2,3-dimethylbutyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 111484572
2-(4-methyl-2,3-dihydroindol-1-yl)ethanol
CID 131065584
1-(4-methyl-2,3-dihydroindol-1-yl)-2-methylsulfanyl-2-phenylethanone
CID 136527235
[6-[(2-hydroxy-3-methylsulfonylpropyl)amino]-3-pyridinyl]-(4-methyl-2,3-dihydroindol-1-yl)methanone
CID 166329687
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methyl-N-(3-methylbutyl)propanamide
CID 169180327
N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 17404196
tert-butyl 4-[3-(4-methyl-2,3-dihydroindol-1-yl)propyl]piperidine-1-carboxylate
CID 68871525
N-(2-hydroxy-2,3-dimethylbutyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 111484130

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-2-(4-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide?
The IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-2-(4-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide (CID 111435729) is N-(2-hydroxy-2,3-dimethylbutyl)-2-(4-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dimethylbutyl)-2-(4-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide?
The canonical SMILES for N-(2-hydroxy-2,3-dimethylbutyl)-2-(4-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide is Cc1cccc2c1CCN2C(=O)C(=O)NCC(C)(O)C(C)C.
What is the InChIKey of N-(2-hydroxy-2,3-dimethylbutyl)-2-(4-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide?
The InChIKey is PRCMHFROJBTOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-11(2)17(4,22)10-18-15(20)16(21)19-9-8-13-12(3)6-5-7-14(13)19/h5-7,11,22H,8-10H2,1-4H3,(H,18,20).
What are the key properties of N-(2-hydroxy-2,3-dimethylbutyl)-2-(4-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide?
N-(2-hydroxy-2,3-dimethylbutyl)-2-(4-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide has a molecular weight of 304.39 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dimethylbutyl)-2-(4-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide is sourced from PubChem (CID 111435729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).