methyl 2-[(3-hydroxy-4-methoxybenzoyl)amino]-1,3-dihydroindene-2-carboxylate

C19H19NO5 — CID 67076518

IUPACmethyl 2-[(3-hydroxy-4-methoxybenzoyl)amino]-1,3-dihydroindene-2-carboxylate
SMILESCOC(=O)C1(NC(=O)c2ccc(OC)c(O)c2)Cc2ccccc2C1
InChIInChI=1S/C19H19NO5/c1-24-16-8-7-12(9-15(16)21)17(22)20-19(18(23)25-2)10-13-5-3-4-6-14(13)11-19/h3-9,21H,10-11H2,1-2H3,(H,20,22)
InChIKeyVNMQEUIIHCFQBN-UHFFFAOYSA-N
MW341.36 g/mol
LogP1.84
Rot. Bonds4

About methyl 2-[(3-hydroxy-4-methoxybenzoyl)amino]-1,3-dihydroindene-2-carboxylate

methyl 2-[(3-hydroxy-4-methoxybenzoyl)amino]-1,3-dihydroindene-2-carboxylate (PubChem CID 67076518) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is methyl 2-[(3-hydroxy-4-methoxybenzoyl)amino]-1,3-dihydroindene-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3-hydroxy-4-methoxybenzoyl)amino]-1,3-dihydroindene-2-carboxylate
PubChem CID67076518
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Namemethyl 2-[(3-hydroxy-4-methoxybenzoyl)amino]-1,3-dihydroindene-2-carboxylate
SMILESCOC(=O)C1(NC(=O)c2ccc(OC)c(O)c2)Cc2ccccc2C1
InChIInChI=1S/C19H19NO5/c1-24-16-8-7-12(9-15(16)21)17(22)20-19(18(23)25-2)10-13-5-3-4-6-14(13)11-19/h3-9,21H,10-11H2,1-2H3,(H,20,22)
InChIKeyVNMQEUIIHCFQBN-UHFFFAOYSA-N
XLogP1.84
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[3-[(4-fluorobenzoyl)amino]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylate
CID 142764640
methyl 2-[[3-[2-(3-chlorophenyl)-2,2-difluoroethoxy]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylate
CID 67076651
2-[[4-methoxy-3-[(3-methylphenyl)methyl]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 67076698
3-hydroxy-4-methoxy-N-(2-methoxyphenyl)benzamide
CID 79600198
methyl 2-(1H-indole-2-carbonylamino)-1,3-dihydroindene-2-carboxylate
CID 24967591
2-[[3-[3-(4-butylphenyl)-2-oxopropyl]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 174782776
N-ethyl-3-hydroxy-4-methoxybenzamide
CID 79600193
N-[1-(bromomethyl)cyclohexyl]-3-hydroxy-4-methoxybenzamide
CID 114314007
N-[1-(chloromethyl)cyclohexyl]-3-hydroxy-4-methoxybenzamide
CID 114303315
2-[[3-[2-(2-fluorophenyl)-2-hydroxyethoxy]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 67076742
N-(2-ethylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79600914
3-hydroxy-4-methoxybenzoic acid
CID 12575

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-hydroxy-4-methoxybenzoyl)amino]-1,3-dihydroindene-2-carboxylate?
The IUPAC name of methyl 2-[(3-hydroxy-4-methoxybenzoyl)amino]-1,3-dihydroindene-2-carboxylate (CID 67076518) is methyl 2-[(3-hydroxy-4-methoxybenzoyl)amino]-1,3-dihydroindene-2-carboxylate.
What is the SMILES notation for methyl 2-[(3-hydroxy-4-methoxybenzoyl)amino]-1,3-dihydroindene-2-carboxylate?
The canonical SMILES for methyl 2-[(3-hydroxy-4-methoxybenzoyl)amino]-1,3-dihydroindene-2-carboxylate is COC(=O)C1(NC(=O)c2ccc(OC)c(O)c2)Cc2ccccc2C1.
What is the InChIKey of methyl 2-[(3-hydroxy-4-methoxybenzoyl)amino]-1,3-dihydroindene-2-carboxylate?
The InChIKey is VNMQEUIIHCFQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-24-16-8-7-12(9-15(16)21)17(22)20-19(18(23)25-2)10-13-5-3-4-6-14(13)11-19/h3-9,21H,10-11H2,1-2H3,(H,20,22).
What are the key properties of methyl 2-[(3-hydroxy-4-methoxybenzoyl)amino]-1,3-dihydroindene-2-carboxylate?
methyl 2-[(3-hydroxy-4-methoxybenzoyl)amino]-1,3-dihydroindene-2-carboxylate has a molecular weight of 341.36 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-hydroxy-4-methoxybenzoyl)amino]-1,3-dihydroindene-2-carboxylate is sourced from PubChem (CID 67076518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).