methyl 2-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]benzoate

C19H19NO3 — CID 86955196

IUPACmethyl 2-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CC1CCc2ccccc21
InChIInChI=1S/C19H19NO3/c1-23-19(22)16-8-4-5-9-17(16)20-18(21)12-14-11-10-13-6-2-3-7-15(13)14/h2-9,14H,10-12H2,1H3,(H,20,21)
InChIKeyCLCRBABQIRIWHA-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.53
Rot. Bonds4

About methyl 2-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]benzoate

methyl 2-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]benzoate (PubChem CID 86955196) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is methyl 2-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]benzoate
PubChem CID86955196
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Namemethyl 2-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CC1CCc2ccccc21
InChIInChI=1S/C19H19NO3/c1-23-19(22)16-8-4-5-9-17(16)20-18(21)12-14-11-10-13-6-2-3-7-15(13)14/h2-9,14H,10-12H2,1H3,(H,20,21)
InChIKeyCLCRBABQIRIWHA-UHFFFAOYSA-N
XLogP3.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]benzoate with MolForge

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Related Compounds

methyl 2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]benzoate
CID 155924431
4-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]-3-methoxybenzoic acid
CID 154740041
2-methyl-3-[[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]benzamide
CID 56783711
2-(2,3-dihydro-1H-inden-1-yl)-N-(2-ethoxy-4-methylphenyl)acetamide
CID 86955608
N-(2-aminoethyl)-2-[[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]benzamide
CID 120604447
N-[2-(ethylaminomethyl)phenyl]-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 119440025
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[1-(methoxymethyl)cyclopentyl]acetamide
CID 97122248
2-(2,3-dihydro-1H-inden-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 110000645
2-(2,3-dihydro-1H-inden-1-yl)-N-(3-fluorophenyl)acetamide
CID 86955213
ethyl 2-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 86955302
methyl 2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzoate
CID 40706173
methyl 2-[[3-(cyclohexylamino)-3-oxopropanoyl]amino]benzoate
CID 108942633

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]benzoate (CID 86955196) is methyl 2-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)CC1CCc2ccccc21.
What is the InChIKey of methyl 2-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]benzoate?
The InChIKey is CLCRBABQIRIWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-23-19(22)16-8-4-5-9-17(16)20-18(21)12-14-11-10-13-6-2-3-7-15(13)14/h2-9,14H,10-12H2,1H3,(H,20,21).
What are the key properties of methyl 2-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]benzoate?
methyl 2-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]benzoate has a molecular weight of 309.37 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]benzoate is sourced from PubChem (CID 86955196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).