2-(3,3-dimethyl-1,2-dihydroinden-1-yl)-N-methylacetamide

C14H19NO — CID 82079114

IUPAC2-(3,3-dimethyl-1,2-dihydroinden-1-yl)-N-methylacetamide
SMILESCNC(=O)CC1CC(C)(C)c2ccccc21
InChIInChI=1S/C14H19NO/c1-14(2)9-10(8-13(16)15-3)11-6-4-5-7-12(11)14/h4-7,10H,8-9H2,1-3H3,(H,15,16)
InChIKeyWVYAYCKYGRRZPW-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.59
Rot. Bonds2

About 2-(3,3-dimethyl-1,2-dihydroinden-1-yl)-N-methylacetamide

2-(3,3-dimethyl-1,2-dihydroinden-1-yl)-N-methylacetamide (PubChem CID 82079114) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-(3,3-dimethyl-1,2-dihydroinden-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(3,3-dimethyl-1,2-dihydroinden-1-yl)-N-methylacetamide
PubChem CID82079114
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-(3,3-dimethyl-1,2-dihydroinden-1-yl)-N-methylacetamide
SMILESCNC(=O)CC1CC(C)(C)c2ccccc21
InChIInChI=1S/C14H19NO/c1-14(2)9-10(8-13(16)15-3)11-6-4-5-7-12(11)14/h4-7,10H,8-9H2,1-3H3,(H,15,16)
InChIKeyWVYAYCKYGRRZPW-UHFFFAOYSA-N
XLogP2.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N-methylacetamide
CID 82082245
(1S)-1-ethyl-3,3-dimethyl-1,2-dihydroindene
CID 149388783
N-methyl-2-[1'-[(5-methylfuran-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131643762
2-[(1S)-1'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-methylacetamide
CID 97375716
N-methyl-2-[1'-(thiophen-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131657425
N-methyl-2-[1'-(2-methylpropylsulfonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131658314
N-methyl-2-[1'-(thiophene-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131642110
N-methyl-2-[1'-(pyridine-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;2,2,2-trifluoroacetic acid
CID 155843975
2-[(1S)-1'-acetylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide
CID 97400614
2-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-methylacetamide
CID 97376409
1-(2-methoxy-2-oxoethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid
CID 66954267
(1S)-1-[2-(cyclopropylamino)-2-oxoethyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide
CID 97376139

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethyl-1,2-dihydroinden-1-yl)-N-methylacetamide?
The IUPAC name of 2-(3,3-dimethyl-1,2-dihydroinden-1-yl)-N-methylacetamide (CID 82079114) is 2-(3,3-dimethyl-1,2-dihydroinden-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(3,3-dimethyl-1,2-dihydroinden-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(3,3-dimethyl-1,2-dihydroinden-1-yl)-N-methylacetamide is CNC(=O)CC1CC(C)(C)c2ccccc21.
What is the InChIKey of 2-(3,3-dimethyl-1,2-dihydroinden-1-yl)-N-methylacetamide?
The InChIKey is WVYAYCKYGRRZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-14(2)9-10(8-13(16)15-3)11-6-4-5-7-12(11)14/h4-7,10H,8-9H2,1-3H3,(H,15,16).
What are the key properties of 2-(3,3-dimethyl-1,2-dihydroinden-1-yl)-N-methylacetamide?
2-(3,3-dimethyl-1,2-dihydroinden-1-yl)-N-methylacetamide has a molecular weight of 217.31 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyl-1,2-dihydroinden-1-yl)-N-methylacetamide is sourced from PubChem (CID 82079114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).