methyl 4-[[(4-oxochromene-3-carbonyl)amino]methyl]benzoate

C19H15NO5 — CID 2406660

IUPACmethyl 4-[[(4-oxochromene-3-carbonyl)amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)c2coc3ccccc3c2=O)cc1
InChIInChI=1S/C19H15NO5/c1-24-19(23)13-8-6-12(7-9-13)10-20-18(22)15-11-25-16-5-3-2-4-14(16)17(15)21/h2-9,11H,10H2,1H3,(H,20,22)
InChIKeyAACFOTJVMPRKAO-UHFFFAOYSA-N
MW337.33 g/mol
LogP2.51
Rot. Bonds4

About methyl 4-[[(4-oxochromene-3-carbonyl)amino]methyl]benzoate

methyl 4-[[(4-oxochromene-3-carbonyl)amino]methyl]benzoate (PubChem CID 2406660) has the molecular formula C19H15NO5 and a molecular weight of 337.33 g/mol. Its IUPAC name is methyl 4-[[(4-oxochromene-3-carbonyl)amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(4-oxochromene-3-carbonyl)amino]methyl]benzoate
PubChem CID2406660
Molecular FormulaC19H15NO5
Molecular Weight337.33 g/mol
Exact Mass337.10
IUPAC Namemethyl 4-[[(4-oxochromene-3-carbonyl)amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)c2coc3ccccc3c2=O)cc1
InChIInChI=1S/C19H15NO5/c1-24-19(23)13-8-6-12(7-9-13)10-20-18(22)15-11-25-16-5-3-2-4-14(16)17(15)21/h2-9,11H,10H2,1H3,(H,20,22)
InChIKeyAACFOTJVMPRKAO-UHFFFAOYSA-N
XLogP2.51
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxyphenyl)methyl]-4-oxochromene-3-carboxamide
CID 9208576
ethyl 4-[(4-oxochromene-3-carbonyl)amino]benzoate
CID 2332762
N-[(2-fluorophenyl)methyl]-4-oxochromene-3-carboxamide
CID 8833270
N-[[4-(bromomethyl)phenyl]methyl]-1-benzofuran-3-carboxamide
CID 107233737
methyl 2-[(4-oxochromene-3-carbonyl)amino]thiophene-3-carboxylate
CID 7166895
methyl 4-[[[2-(2-methylphenyl)acetyl]amino]methyl]benzoate
CID 18189793
methyl 4-[[2-(benzylcarbamoyl)phenoxy]methyl]benzoate
CID 7981645
methyl 4-[[(4-acetylbenzoyl)amino]methyl]benzoate
CID 163207822
methyl 4-[[4-(benzylcarbamoyl)-2-oxoquinolin-1-yl]methyl]benzoate
CID 139956924
methyl 4-[(4-pyrrol-1-ylphenyl)methylcarbamoyl]benzoate
CID 4919619
3-(4-tert-butylbenzoyl)chromen-4-one
CID 775972
methyl 4-[[4-(furan-3-yl)phenyl]methylcarbamoyl]benzoate
CID 119103319

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(4-oxochromene-3-carbonyl)amino]methyl]benzoate?
The IUPAC name of methyl 4-[[(4-oxochromene-3-carbonyl)amino]methyl]benzoate (CID 2406660) is methyl 4-[[(4-oxochromene-3-carbonyl)amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[(4-oxochromene-3-carbonyl)amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[(4-oxochromene-3-carbonyl)amino]methyl]benzoate is COC(=O)c1ccc(CNC(=O)c2coc3ccccc3c2=O)cc1.
What is the InChIKey of methyl 4-[[(4-oxochromene-3-carbonyl)amino]methyl]benzoate?
The InChIKey is AACFOTJVMPRKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO5/c1-24-19(23)13-8-6-12(7-9-13)10-20-18(22)15-11-25-16-5-3-2-4-14(16)17(15)21/h2-9,11H,10H2,1H3,(H,20,22).
What are the key properties of methyl 4-[[(4-oxochromene-3-carbonyl)amino]methyl]benzoate?
methyl 4-[[(4-oxochromene-3-carbonyl)amino]methyl]benzoate has a molecular weight of 337.33 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(4-oxochromene-3-carbonyl)amino]methyl]benzoate is sourced from PubChem (CID 2406660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).