N-(4-tert-butylphenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide

C21H25NO2 — CID 112978184

IUPACN-(4-tert-butylphenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
SMILESCC(C)(C)c1ccc(NC(=O)COc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C21H25NO2/c1-21(2,3)17-8-10-18(11-9-17)22-20(23)14-24-19-12-7-15-5-4-6-16(15)13-19/h7-13H,4-6,14H2,1-3H3,(H,22,23)
InChIKeyZKLFISCDYPVRAA-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.49
Rot. Bonds4

About N-(4-tert-butylphenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide

N-(4-tert-butylphenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide (PubChem CID 112978184) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
PubChem CID112978184
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC NameN-(4-tert-butylphenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
SMILESCC(C)(C)c1ccc(NC(=O)COc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C21H25NO2/c1-21(2,3)17-8-10-18(11-9-17)22-20(23)14-24-19-12-7-15-5-4-6-16(15)13-19/h7-13H,4-6,14H2,1-3H3,(H,22,23)
InChIKeyZKLFISCDYPVRAA-UHFFFAOYSA-N
XLogP4.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yloxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 17105980
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 9141062
dimethyl 5-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 2711603
N-[4-(azepan-1-yl)phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 7582308
N-[2-(4-tert-butylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
CID 100561035
N-(2,3-dihydro-1H-inden-5-yl)-2-(4-methoxyphenoxy)acetamide
CID 2710612
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[4-[2-hydroxyethyl(methyl)amino]phenyl]acetamide
CID 110930973
N-(4-cyanophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
CID 112978228
N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 2709578
N-(2,3-dihydro-1H-inden-5-yl)-2-(4-iodophenoxy)acetamide
CID 2627640
2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-2-methylpropanoic acid
CID 61261141
methyl 4-[[2-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]oxyacetyl]amino]benzoate
CID 7235156

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide (CID 112978184) is N-(4-tert-butylphenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide is CC(C)(C)c1ccc(NC(=O)COc2ccc3c(c2)CCC3)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide?
The InChIKey is ZKLFISCDYPVRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-21(2,3)17-8-10-18(11-9-17)22-20(23)14-24-19-12-7-15-5-4-6-16(15)13-19/h7-13H,4-6,14H2,1-3H3,(H,22,23).
What are the key properties of N-(4-tert-butylphenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide?
N-(4-tert-butylphenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide has a molecular weight of 323.44 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide is sourced from PubChem (CID 112978184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).