N-(3-methylbutyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide

C16H22N2O2 — CID 47333098

IUPACN-(3-methylbutyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
SMILESCC(C)CCNC(=O)C(=O)N1c2ccccc2CC1C
InChIInChI=1S/C16H22N2O2/c1-11(2)8-9-17-15(19)16(20)18-12(3)10-13-6-4-5-7-14(13)18/h4-7,11-12H,8-10H2,1-3H3,(H,17,19)
InChIKeyCJNDOPUGMGRFRD-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.13
Rot. Bonds3

About N-(3-methylbutyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide

N-(3-methylbutyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide (PubChem CID 47333098) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
PubChem CID47333098
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(3-methylbutyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
SMILESCC(C)CCNC(=O)C(=O)N1c2ccccc2CC1C
InChIInChI=1S/C16H22N2O2/c1-11(2)8-9-17-15(19)16(20)18-12(3)10-13-6-4-5-7-14(13)18/h4-7,11-12H,8-10H2,1-3H3,(H,17,19)
InChIKeyCJNDOPUGMGRFRD-UHFFFAOYSA-N
XLogP2.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108513998
N-[2-(2-fluorophenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108985287
N-(3-methylbutyl)-2-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide
CID 95089811
N-(3-methylbutyl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide
CID 95089810
N-(3-methylbutyl)-1-propanoyl-2,3-dihydroindole-2-carboxamide
CID 20954495
2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxo-N-(pyridin-3-ylmethyl)acetamide
CID 108506767
2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxo-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 108526271
N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 111755095
[4-(3-methylbutylamino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109217477
2-methyl-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one;sulfane
CID 160861486
N-[1-(4-methoxyphenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108510404
N-(4-acetylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108514855

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide?
The IUPAC name of N-(3-methylbutyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide (CID 47333098) is N-(3-methylbutyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide?
The canonical SMILES for N-(3-methylbutyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide is CC(C)CCNC(=O)C(=O)N1c2ccccc2CC1C.
What is the InChIKey of N-(3-methylbutyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide?
The InChIKey is CJNDOPUGMGRFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11(2)8-9-17-15(19)16(20)18-12(3)10-13-6-4-5-7-14(13)18/h4-7,11-12H,8-10H2,1-3H3,(H,17,19).
What are the key properties of N-(3-methylbutyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide?
N-(3-methylbutyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide has a molecular weight of 274.36 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide is sourced from PubChem (CID 47333098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).