ethyl 3-(2,3-dihydro-1H-indene-5-carbonylamino)benzoate

C19H19NO3 — CID 9228157

IUPACethyl 3-(2,3-dihydro-1H-indene-5-carbonylamino)benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2ccc3c(c2)CCC3)c1
InChIInChI=1S/C19H19NO3/c1-2-23-19(22)16-7-4-8-17(12-16)20-18(21)15-10-9-13-5-3-6-14(13)11-15/h4,7-12H,2-3,5-6H2,1H3,(H,20,21)
InChIKeyXWMUGXKPAOWNLA-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.60
Rot. Bonds4

About ethyl 3-(2,3-dihydro-1H-indene-5-carbonylamino)benzoate

ethyl 3-(2,3-dihydro-1H-indene-5-carbonylamino)benzoate (PubChem CID 9228157) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is ethyl 3-(2,3-dihydro-1H-indene-5-carbonylamino)benzoate.

Molecular Properties

Compound Nameethyl 3-(2,3-dihydro-1H-indene-5-carbonylamino)benzoate
PubChem CID9228157
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Nameethyl 3-(2,3-dihydro-1H-indene-5-carbonylamino)benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2ccc3c(c2)CCC3)c1
InChIInChI=1S/C19H19NO3/c1-2-23-19(22)16-7-4-8-17(12-16)20-18(21)15-10-9-13-5-3-6-14(13)11-15/h4,7-12H,2-3,5-6H2,1H3,(H,20,21)
InChIKeyXWMUGXKPAOWNLA-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoate
CID 100704037
ethyl 4-methyl-3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoate
CID 100704068
ethyl 3-[(4-tert-butylbenzoyl)amino]benzoate
CID 883989
ethyl 2-(2,3-dihydro-1H-indene-5-carbonylamino)benzoate
CID 17492553
ethyl 3-[(3,5-dimethylbenzoyl)amino]benzoate
CID 17066429
ethyl 3-[(2-carbamoylcyclohexene-1-carbonyl)amino]benzoate
CID 13307424
N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 43823245
ethyl 3-[(4-ethoxybenzoyl)amino]benzoate
CID 836694
ethyl 3-[(4-propan-2-ylbenzoyl)amino]benzoate
CID 1406449
ethyl 3-acetamidobenzoate
CID 700589
ethyl 3-[[4-(diethylamino)benzoyl]amino]benzoate
CID 5194656
ethyl 3-[(3-fluoro-4-methoxybenzoyl)amino]benzoate
CID 9228357

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,3-dihydro-1H-indene-5-carbonylamino)benzoate?
The IUPAC name of ethyl 3-(2,3-dihydro-1H-indene-5-carbonylamino)benzoate (CID 9228157) is ethyl 3-(2,3-dihydro-1H-indene-5-carbonylamino)benzoate.
What is the SMILES notation for ethyl 3-(2,3-dihydro-1H-indene-5-carbonylamino)benzoate?
The canonical SMILES for ethyl 3-(2,3-dihydro-1H-indene-5-carbonylamino)benzoate is CCOC(=O)c1cccc(NC(=O)c2ccc3c(c2)CCC3)c1.
What is the InChIKey of ethyl 3-(2,3-dihydro-1H-indene-5-carbonylamino)benzoate?
The InChIKey is XWMUGXKPAOWNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-2-23-19(22)16-7-4-8-17(12-16)20-18(21)15-10-9-13-5-3-6-14(13)11-15/h4,7-12H,2-3,5-6H2,1H3,(H,20,21).
What are the key properties of ethyl 3-(2,3-dihydro-1H-indene-5-carbonylamino)benzoate?
ethyl 3-(2,3-dihydro-1H-indene-5-carbonylamino)benzoate has a molecular weight of 309.37 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,3-dihydro-1H-indene-5-carbonylamino)benzoate is sourced from PubChem (CID 9228157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).