N-(3-hydroxyphenyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide

C19H15NO4 — CID 804653

IUPACN-(3-hydroxyphenyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide
SMILESC=CCc1cccc2cc(C(=O)Nc3cccc(O)c3)c(=O)oc12
InChIInChI=1S/C19H15NO4/c1-2-5-12-6-3-7-13-10-16(19(23)24-17(12)13)18(22)20-14-8-4-9-15(21)11-14/h2-4,6-11,21H,1,5H2,(H,20,22)
InChIKeyJBGXXDWXEVGUIX-UHFFFAOYSA-N
MW321.33 g/mol
LogP3.48
Rot. Bonds4

About N-(3-hydroxyphenyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide

N-(3-hydroxyphenyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide (PubChem CID 804653) has the molecular formula C19H15NO4 and a molecular weight of 321.33 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide
PubChem CID804653
Molecular FormulaC19H15NO4
Molecular Weight321.33 g/mol
Exact Mass321.10
IUPAC NameN-(3-hydroxyphenyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide
SMILESC=CCc1cccc2cc(C(=O)Nc3cccc(O)c3)c(=O)oc12
InChIInChI=1S/C19H15NO4/c1-2-5-12-6-3-7-13-10-16(19(23)24-17(12)13)18(22)20-14-8-4-9-15(21)11-14/h2-4,6-11,21H,1,5H2,(H,20,22)
InChIKeyJBGXXDWXEVGUIX-UHFFFAOYSA-N
XLogP3.48
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'coumarin_B(2)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dichlorophenyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide
CID 1108271
3-(2-oxo-8-prop-2-enylchromene-3-carbonyl)-8-prop-2-enylchromen-2-one
CID 56694172
N'-(2-oxo-8-prop-2-enylchromene-3-carbonyl)pyridine-4-carbohydrazide
CID 785049
N-(2-bromophenyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide
CID 611701
N-(2,4-dimethylphenyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide
CID 810659
2-oxo-8-prop-2-enyl-N-(1,2,4-triazol-4-yl)chromene-3-carboxamide
CID 21176516
methyl 3-[[4-[(2-oxo-8-prop-2-enylchromene-3-carbonyl)amino]phenyl]methylamino]propanoate
CID 24762691
N-cyclohexyl-2-oxo-8-prop-2-enylchromene-3-carboxamide
CID 785044
N'-(3,4-dimethoxybenzoyl)-2-oxo-8-prop-2-enylchromene-3-carbohydrazide
CID 1122732
N-(4-methyl-2-nitrophenyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide
CID 2888714
N-(2-oxo-8-prop-2-enylchromen-3-yl)acetamide
CID 763579
N-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide
CID 2254975

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide?
The IUPAC name of N-(3-hydroxyphenyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide (CID 804653) is N-(3-hydroxyphenyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide?
The canonical SMILES for N-(3-hydroxyphenyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide is C=CCc1cccc2cc(C(=O)Nc3cccc(O)c3)c(=O)oc12.
What is the InChIKey of N-(3-hydroxyphenyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide?
The InChIKey is JBGXXDWXEVGUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4/c1-2-5-12-6-3-7-13-10-16(19(23)24-17(12)13)18(22)20-14-8-4-9-15(21)11-14/h2-4,6-11,21H,1,5H2,(H,20,22).
What are the key properties of N-(3-hydroxyphenyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide?
N-(3-hydroxyphenyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide has a molecular weight of 321.33 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide is sourced from PubChem (CID 804653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).