ethyl 2-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)benzoate

C19H20N2O3 — CID 3679782

IUPACethyl 2-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)NC1Cc2ccccc2C1
InChIInChI=1S/C19H20N2O3/c1-2-24-18(22)16-9-5-6-10-17(16)21-19(23)20-15-11-13-7-3-4-8-14(13)12-15/h3-10,15H,2,11-12H2,1H3,(H2,20,21,23)
InChIKeyDMLMBNGWTZUIOG-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.15
Rot. Bonds4

About ethyl 2-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)benzoate

ethyl 2-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)benzoate (PubChem CID 3679782) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is ethyl 2-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)benzoate.

Molecular Properties

Compound Nameethyl 2-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)benzoate
PubChem CID3679782
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Nameethyl 2-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)NC1Cc2ccccc2C1
InChIInChI=1S/C19H20N2O3/c1-2-24-18(22)16-9-5-6-10-17(16)21-19(23)20-15-11-13-7-3-4-8-14(13)12-15/h3-10,15H,2,11-12H2,1H3,(H2,20,21,23)
InChIKeyDMLMBNGWTZUIOG-UHFFFAOYSA-N
XLogP3.15
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(cyclopentylcarbamoylamino)benzoate
CID 110755189
ethyl 2-(cycloheptylcarbamoylamino)benzoate
CID 108990696
propyl 2-(cyclohexylcarbamoylamino)benzoate
CID 122389649
ethyl 2-[[2-(cyclohexylcarbamoylamino)acetyl]amino]benzoate
CID 113001757
ethyl 2-(cyclopropylamino)benzoate
CID 103438878
ethyl 2-(propanoylamino)benzoate
CID 4190428
ethyl 2-(1-adamantylcarbamoylamino)benzoate
CID 108895961
methyl 2-[[2-(2-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
CID 108501747
ethyl 2-[(4-chlorophenyl)carbamoylamino]benzoate
CID 787988
ethyl 2-[(2,5-dimethylphenyl)carbamoylamino]benzoate
CID 108991348
1-(2,3-dihydro-1H-inden-2-yl)-3-(2,5-dimethylphenyl)urea
CID 23795651
ethyl 2-[[(2R)-2-amino-3-methylbutanoyl]amino]benzoate
CID 79012215

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)benzoate?
The IUPAC name of ethyl 2-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)benzoate (CID 3679782) is ethyl 2-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)benzoate.
What is the SMILES notation for ethyl 2-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)benzoate?
The canonical SMILES for ethyl 2-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)benzoate is CCOC(=O)c1ccccc1NC(=O)NC1Cc2ccccc2C1.
What is the InChIKey of ethyl 2-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)benzoate?
The InChIKey is DMLMBNGWTZUIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-2-24-18(22)16-9-5-6-10-17(16)21-19(23)20-15-11-13-7-3-4-8-14(13)12-15/h3-10,15H,2,11-12H2,1H3,(H2,20,21,23).
What are the key properties of ethyl 2-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)benzoate?
ethyl 2-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)benzoate has a molecular weight of 324.38 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)benzoate is sourced from PubChem (CID 3679782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).