2-(2,3-dihydro-1H-inden-5-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide

C21H25NO — CID 16556750

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C21H25NO/c1-14(2)19-9-4-6-15(3)21(19)22-20(23)13-16-10-11-17-7-5-8-18(17)12-16/h4,6,9-12,14H,5,7-8,13H2,1-3H3,(H,22,23)
InChIKeyFRUPUFNARUYPFH-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.79
Rot. Bonds4

About 2-(2,3-dihydro-1H-inden-5-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide

2-(2,3-dihydro-1H-inden-5-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide (PubChem CID 16556750) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
PubChem CID16556750
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C21H25NO/c1-14(2)19-9-4-6-15(3)21(19)22-20(23)13-16-10-11-17-7-5-8-18(17)12-16/h4,6,9-12,14H,5,7-8,13H2,1-3H3,(H,22,23)
InChIKeyFRUPUFNARUYPFH-UHFFFAOYSA-N
XLogP4.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-fluorophenyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 7919869
2-(4-chlorophenyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 2165744
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
CID 7596356
2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 7884396
2-(4-ethoxyphenyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 51536149
2-(2,4-dimethylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 100755607
N-(2-methyl-6-propan-2-ylphenyl)-2-sulfanylacetamide
CID 715390
2-(2,3-dihydro-1H-inden-5-yl)-N-propan-2-ylacetamide
CID 60645732
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 8535723
2-(3,4-dimethoxyphenyl)-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]acetamide
CID 112997410
2-(methylamino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride
CID 119674500
2-[ethyl(methyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 60516691

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide (CID 16556750) is 2-(2,3-dihydro-1H-inden-5-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide is Cc1cccc(C(C)C)c1NC(=O)Cc1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The InChIKey is FRUPUFNARUYPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c1-14(2)19-9-4-6-15(3)21(19)22-20(23)13-16-10-11-17-7-5-8-18(17)12-16/h4,6,9-12,14H,5,7-8,13H2,1-3H3,(H,22,23).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
2-(2,3-dihydro-1H-inden-5-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide has a molecular weight of 307.44 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 16556750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).