propyl 4-[(6-methoxy-2-oxochromene-3-carbonyl)amino]benzoate

C21H19NO6 — CID 19207105

IUPACpropyl 4-[(6-methoxy-2-oxochromene-3-carbonyl)amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2cc3cc(OC)ccc3oc2=O)cc1
InChIInChI=1S/C21H19NO6/c1-3-10-27-20(24)13-4-6-15(7-5-13)22-19(23)17-12-14-11-16(26-2)8-9-18(14)28-21(17)25/h4-9,11-12H,3,10H2,1-2H3,(H,22,23)
InChIKeyLWWDHCKALMLLCY-UHFFFAOYSA-N
MW381.38 g/mol
LogP3.62
Rot. Bonds6

About propyl 4-[(6-methoxy-2-oxochromene-3-carbonyl)amino]benzoate

propyl 4-[(6-methoxy-2-oxochromene-3-carbonyl)amino]benzoate (PubChem CID 19207105) has the molecular formula C21H19NO6 and a molecular weight of 381.38 g/mol. Its IUPAC name is propyl 4-[(6-methoxy-2-oxochromene-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[(6-methoxy-2-oxochromene-3-carbonyl)amino]benzoate
PubChem CID19207105
Molecular FormulaC21H19NO6
Molecular Weight381.38 g/mol
Exact Mass381.12
IUPAC Namepropyl 4-[(6-methoxy-2-oxochromene-3-carbonyl)amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2cc3cc(OC)ccc3oc2=O)cc1
InChIInChI=1S/C21H19NO6/c1-3-10-27-20(24)13-4-6-15(7-5-13)22-19(23)17-12-14-11-16(26-2)8-9-18(14)28-21(17)25/h4-9,11-12H,3,10H2,1-2H3,(H,22,23)
InChIKeyLWWDHCKALMLLCY-UHFFFAOYSA-N
XLogP3.62
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-2-oxo-N-pyridin-4-ylchromene-3-carboxamide
CID 3786468
6-methoxy-N-naphthalen-2-yl-2-oxochromene-3-carboxamide
CID 16645470
3-methylbutyl 4-[(6-bromo-2-oxochromene-3-carbonyl)amino]benzoate
CID 19171830
propyl 4-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate
CID 2292301
2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide
CID 110493370
N-(1,3-benzodioxol-5-yl)-6-methoxy-2-oxochromene-3-carboxamide
CID 19207094
butyl 4-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]benzoate
CID 51065492
(4-methoxycarbonylphenyl) 6-methoxy-2-oxochromene-3-carboxylate
CID 19207230
propyl 4-[(5-chloro-1-benzofuran-2-carbonyl)amino]benzoate
CID 19240947
6-methoxy-2-oxo-N-pentan-2-ylchromene-3-carboxamide
CID 133184087
5-methoxy-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 51432206
N-(4-bromophenyl)-7-methoxy-2-oxochromene-3-carboxamide
CID 5262383

Frequently Asked Questions

What is the IUPAC name of propyl 4-[(6-methoxy-2-oxochromene-3-carbonyl)amino]benzoate?
The IUPAC name of propyl 4-[(6-methoxy-2-oxochromene-3-carbonyl)amino]benzoate (CID 19207105) is propyl 4-[(6-methoxy-2-oxochromene-3-carbonyl)amino]benzoate.
What is the SMILES notation for propyl 4-[(6-methoxy-2-oxochromene-3-carbonyl)amino]benzoate?
The canonical SMILES for propyl 4-[(6-methoxy-2-oxochromene-3-carbonyl)amino]benzoate is CCCOC(=O)c1ccc(NC(=O)c2cc3cc(OC)ccc3oc2=O)cc1.
What is the InChIKey of propyl 4-[(6-methoxy-2-oxochromene-3-carbonyl)amino]benzoate?
The InChIKey is LWWDHCKALMLLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO6/c1-3-10-27-20(24)13-4-6-15(7-5-13)22-19(23)17-12-14-11-16(26-2)8-9-18(14)28-21(17)25/h4-9,11-12H,3,10H2,1-2H3,(H,22,23).
What are the key properties of propyl 4-[(6-methoxy-2-oxochromene-3-carbonyl)amino]benzoate?
propyl 4-[(6-methoxy-2-oxochromene-3-carbonyl)amino]benzoate has a molecular weight of 381.38 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[(6-methoxy-2-oxochromene-3-carbonyl)amino]benzoate is sourced from PubChem (CID 19207105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).