5-hydroxy-6-methyl-2-oxo-N-propan-2-ylchromene-4-carboxamide

C14H15NO4 — CID 171049199

IUPAC5-hydroxy-6-methyl-2-oxo-N-propan-2-ylchromene-4-carboxamide
SMILESCc1ccc2oc(=O)cc(C(=O)NC(C)C)c2c1O
InChIInChI=1S/C14H15NO4/c1-7(2)15-14(18)9-6-11(16)19-10-5-4-8(3)13(17)12(9)10/h4-7,17H,1-3H3,(H,15,18)
InChIKeyOWPDAVUCRHXPAC-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.95
Rot. Bonds2

About 5-hydroxy-6-methyl-2-oxo-N-propan-2-ylchromene-4-carboxamide

5-hydroxy-6-methyl-2-oxo-N-propan-2-ylchromene-4-carboxamide (PubChem CID 171049199) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 5-hydroxy-6-methyl-2-oxo-N-propan-2-ylchromene-4-carboxamide.

Molecular Properties

Compound Name5-hydroxy-6-methyl-2-oxo-N-propan-2-ylchromene-4-carboxamide
PubChem CID171049199
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name5-hydroxy-6-methyl-2-oxo-N-propan-2-ylchromene-4-carboxamide
SMILESCc1ccc2oc(=O)cc(C(=O)NC(C)C)c2c1O
InChIInChI=1S/C14H15NO4/c1-7(2)15-14(18)9-6-11(16)19-10-5-4-8(3)13(17)12(9)10/h4-7,17H,1-3H3,(H,15,18)
InChIKeyOWPDAVUCRHXPAC-UHFFFAOYSA-N
XLogP1.95
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-4-methyl-6-propanoylchromen-2-one
CID 44721131
ethane;2-methyl-N-propan-2-ylbenzamide
CID 164554205
2-fluoro-3,4-dimethyl-N-propan-2-ylbenzamide
CID 130223984
[2-oxo-3-(propan-2-ylcarbamoyl)chromen-7-yl] acetate
CID 19185609
2-methyl-N-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 164946099
5,7-dihydroxy-4-methyl-6-(3-methylbutanoyl)chromen-2-one
CID 86288870
2-(7-methyl-2-oxochromen-4-yl)-N-propan-2-ylacetamide
CID 40805355
methyl 5,7-dihydroxy-4-methyl-2-oxochromene-6-carboxylate
CID 44721130
N-(4-amino-4-oxobutan-2-yl)-2-hydroxy-3-methylbenzamide
CID 115664821
2-hydroxy-1-N-methyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 153307876
4,5-dimethyl-N-propan-2-ylfuran-2-carboxamide;ethane
CID 158752284
4-[[(2S)-2-aminopropanoyl]amino]-2-methyl-N-propan-2-ylbenzamide
CID 119321678

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-methyl-2-oxo-N-propan-2-ylchromene-4-carboxamide?
The IUPAC name of 5-hydroxy-6-methyl-2-oxo-N-propan-2-ylchromene-4-carboxamide (CID 171049199) is 5-hydroxy-6-methyl-2-oxo-N-propan-2-ylchromene-4-carboxamide.
What is the SMILES notation for 5-hydroxy-6-methyl-2-oxo-N-propan-2-ylchromene-4-carboxamide?
The canonical SMILES for 5-hydroxy-6-methyl-2-oxo-N-propan-2-ylchromene-4-carboxamide is Cc1ccc2oc(=O)cc(C(=O)NC(C)C)c2c1O.
What is the InChIKey of 5-hydroxy-6-methyl-2-oxo-N-propan-2-ylchromene-4-carboxamide?
The InChIKey is OWPDAVUCRHXPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-7(2)15-14(18)9-6-11(16)19-10-5-4-8(3)13(17)12(9)10/h4-7,17H,1-3H3,(H,15,18).
What are the key properties of 5-hydroxy-6-methyl-2-oxo-N-propan-2-ylchromene-4-carboxamide?
5-hydroxy-6-methyl-2-oxo-N-propan-2-ylchromene-4-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-methyl-2-oxo-N-propan-2-ylchromene-4-carboxamide is sourced from PubChem (CID 171049199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).