N-(4,7-dimethyl-2-oxochromen-6-yl)oxolane-3-carboxamide

C16H17NO4 — CID 50966473

IUPACN-(4,7-dimethyl-2-oxochromen-6-yl)oxolane-3-carboxamide
SMILESCc1cc2oc(=O)cc(C)c2cc1NC(=O)C1CCOC1
InChIInChI=1S/C16H17NO4/c1-9-6-15(18)21-14-5-10(2)13(7-12(9)14)17-16(19)11-3-4-20-8-11/h5-7,11H,3-4,8H2,1-2H3,(H,17,19)
InChIKeyPYQZMSTWYAUQAG-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.38
Rot. Bonds2

About N-(4,7-dimethyl-2-oxochromen-6-yl)oxolane-3-carboxamide

N-(4,7-dimethyl-2-oxochromen-6-yl)oxolane-3-carboxamide (PubChem CID 50966473) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is N-(4,7-dimethyl-2-oxochromen-6-yl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(4,7-dimethyl-2-oxochromen-6-yl)oxolane-3-carboxamide
PubChem CID50966473
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC NameN-(4,7-dimethyl-2-oxochromen-6-yl)oxolane-3-carboxamide
SMILESCc1cc2oc(=O)cc(C)c2cc1NC(=O)C1CCOC1
InChIInChI=1S/C16H17NO4/c1-9-6-15(18)21-14-5-10(2)13(7-12(9)14)17-16(19)11-3-4-20-8-11/h5-7,11H,3-4,8H2,1-2H3,(H,17,19)
InChIKeyPYQZMSTWYAUQAG-UHFFFAOYSA-N
XLogP2.38
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxy-2,5-dimethylphenyl)oxane-3-carboxamide
CID 106834575
N-(4-methyl-2-oxochromen-7-yl)cyclopropanecarboxamide
CID 26878502
2-[(4,6-dimethyl-2-oxochromen-7-yl)amino]-2-oxoacetic acid
CID 12906975
3-bromo-N-(4,7-dimethyl-2-oxochromen-6-yl)benzamide
CID 1234118
N-(3,5-dimethylphenyl)oxolane-3-carboxamide
CID 47443287
N-(4,7-dimethyl-2-oxochromen-6-yl)-1H-pyrrole-2-carboxamide
CID 50969470
(3R)-N-(5-methyl-1,2-oxazol-3-yl)oxolane-3-carboxamide
CID 27242204
5-bromo-2-methyl-4-(oxolane-3-carbonylamino)benzenesulfonyl chloride
CID 82757275
N-(5-amino-2-chlorophenyl)oxolane-3-carboxamide
CID 61272362
methyl 5-methyl-2-(oxolane-3-carbonylamino)benzoate
CID 61278907
N-(2,6-dimethyl-4-sulfamoylphenyl)oxolane-3-carboxamide
CID 61277687
ethyl 4-fluoro-2-methyl-5-[[(3S)-oxolane-3-carbonyl]amino]benzoate
CID 100643309

Frequently Asked Questions

What is the IUPAC name of N-(4,7-dimethyl-2-oxochromen-6-yl)oxolane-3-carboxamide?
The IUPAC name of N-(4,7-dimethyl-2-oxochromen-6-yl)oxolane-3-carboxamide (CID 50966473) is N-(4,7-dimethyl-2-oxochromen-6-yl)oxolane-3-carboxamide.
What is the SMILES notation for N-(4,7-dimethyl-2-oxochromen-6-yl)oxolane-3-carboxamide?
The canonical SMILES for N-(4,7-dimethyl-2-oxochromen-6-yl)oxolane-3-carboxamide is Cc1cc2oc(=O)cc(C)c2cc1NC(=O)C1CCOC1.
What is the InChIKey of N-(4,7-dimethyl-2-oxochromen-6-yl)oxolane-3-carboxamide?
The InChIKey is PYQZMSTWYAUQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-9-6-15(18)21-14-5-10(2)13(7-12(9)14)17-16(19)11-3-4-20-8-11/h5-7,11H,3-4,8H2,1-2H3,(H,17,19).
What are the key properties of N-(4,7-dimethyl-2-oxochromen-6-yl)oxolane-3-carboxamide?
N-(4,7-dimethyl-2-oxochromen-6-yl)oxolane-3-carboxamide has a molecular weight of 287.31 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,7-dimethyl-2-oxochromen-6-yl)oxolane-3-carboxamide is sourced from PubChem (CID 50966473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).