ethyl 3-(9H-xanthene-9-carbonylamino)benzoate

C23H19NO4 — CID 1344960

IUPACethyl 3-(9H-xanthene-9-carbonylamino)benzoate
SMILESCCOC(=O)c1cccc(NC(=O)C2c3ccccc3Oc3ccccc32)c1
InChIInChI=1S/C23H19NO4/c1-2-27-23(26)15-8-7-9-16(14-15)24-22(25)21-17-10-3-5-12-19(17)28-20-13-6-4-11-18(20)21/h3-14,21H,2H2,1H3,(H,24,25)
InChIKeyJJUUQXCYSNBTDO-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.74
Rot. Bonds4

About ethyl 3-(9H-xanthene-9-carbonylamino)benzoate

ethyl 3-(9H-xanthene-9-carbonylamino)benzoate (PubChem CID 1344960) has the molecular formula C23H19NO4 and a molecular weight of 373.41 g/mol. Its IUPAC name is ethyl 3-(9H-xanthene-9-carbonylamino)benzoate.

Molecular Properties

Compound Nameethyl 3-(9H-xanthene-9-carbonylamino)benzoate
PubChem CID1344960
Molecular FormulaC23H19NO4
Molecular Weight373.41 g/mol
Exact Mass373.13
IUPAC Nameethyl 3-(9H-xanthene-9-carbonylamino)benzoate
SMILESCCOC(=O)c1cccc(NC(=O)C2c3ccccc3Oc3ccccc32)c1
InChIInChI=1S/C23H19NO4/c1-2-27-23(26)15-8-7-9-16(14-15)24-22(25)21-17-10-3-5-12-19(17)28-20-13-6-4-11-18(20)21/h3-14,21H,2H2,1H3,(H,24,25)
InChIKeyJJUUQXCYSNBTDO-UHFFFAOYSA-N
XLogP4.74
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-9H-xanthene-9-carboxamide
CID 669610
ethyl 3-acetamidobenzoate
CID 700589
ethyl 3-(3,4-dihydro-2H-chromene-3-carbonylamino)benzoate
CID 134041128
N-[3-(cyclopropanecarbonylamino)phenyl]-9H-xanthene-9-carboxamide
CID 46568463
ethyl 3-[[(2R)-oxolane-2-carbonyl]amino]benzoate
CID 2169884
ethyl 4-ethyl-5-methyl-2-(9H-xanthene-9-carbonylamino)thiophene-3-carboxylate
CID 1008955
ethyl 3-(2-methylpropanoylamino)benzoate
CID 836905
ethyl 3-(3-oxobutanoylamino)benzoate
CID 18072873
ethyl 3-[(4-aminocyclopent-2-ene-1-carbonyl)amino]benzoate
CID 79207693
ethyl 3-[[2-(dimethylamino)acetyl]amino]benzoate;hydrochloride
CID 70000675
N-(4-anilinophenyl)-9H-xanthene-9-carboxamide
CID 4104080
ethyl 3-[(2-methylphenyl)carbamothioylamino]benzoate
CID 19687773

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(9H-xanthene-9-carbonylamino)benzoate?
The IUPAC name of ethyl 3-(9H-xanthene-9-carbonylamino)benzoate (CID 1344960) is ethyl 3-(9H-xanthene-9-carbonylamino)benzoate.
What is the SMILES notation for ethyl 3-(9H-xanthene-9-carbonylamino)benzoate?
The canonical SMILES for ethyl 3-(9H-xanthene-9-carbonylamino)benzoate is CCOC(=O)c1cccc(NC(=O)C2c3ccccc3Oc3ccccc32)c1.
What is the InChIKey of ethyl 3-(9H-xanthene-9-carbonylamino)benzoate?
The InChIKey is JJUUQXCYSNBTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO4/c1-2-27-23(26)15-8-7-9-16(14-15)24-22(25)21-17-10-3-5-12-19(17)28-20-13-6-4-11-18(20)21/h3-14,21H,2H2,1H3,(H,24,25).
What are the key properties of ethyl 3-(9H-xanthene-9-carbonylamino)benzoate?
ethyl 3-(9H-xanthene-9-carbonylamino)benzoate has a molecular weight of 373.41 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(9H-xanthene-9-carbonylamino)benzoate is sourced from PubChem (CID 1344960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).