6-methoxy-N-(2-methylcyclohexyl)-2-oxochromene-3-carboxamide

C18H21NO4 — CID 2964707

IUPAC6-methoxy-N-(2-methylcyclohexyl)-2-oxochromene-3-carboxamide
SMILESCOc1ccc2oc(=O)c(C(=O)NC3CCCCC3C)cc2c1
InChIInChI=1S/C18H21NO4/c1-11-5-3-4-6-15(11)19-17(20)14-10-12-9-13(22-2)7-8-16(12)23-18(14)21/h7-11,15H,3-6H2,1-2H3,(H,19,20)
InChIKeyKAQJHNJFVWRGLO-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.11
Rot. Bonds3

About 6-methoxy-N-(2-methylcyclohexyl)-2-oxochromene-3-carboxamide

6-methoxy-N-(2-methylcyclohexyl)-2-oxochromene-3-carboxamide (PubChem CID 2964707) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is 6-methoxy-N-(2-methylcyclohexyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-(2-methylcyclohexyl)-2-oxochromene-3-carboxamide
PubChem CID2964707
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name6-methoxy-N-(2-methylcyclohexyl)-2-oxochromene-3-carboxamide
SMILESCOc1ccc2oc(=O)c(C(=O)NC3CCCCC3C)cc2c1
InChIInChI=1S/C18H21NO4/c1-11-5-3-4-6-15(11)19-17(20)14-10-12-9-13(22-2)7-8-16(12)23-18(14)21/h7-11,15H,3-6H2,1-2H3,(H,19,20)
InChIKeyKAQJHNJFVWRGLO-UHFFFAOYSA-N
XLogP3.11
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.11
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-cycloheptyl-7-methoxy-2-oxochromene-3-carboxamide
CID 100795138
2-hydroxy-5-methoxy-N-(2-methylcyclohexyl)benzamide
CID 54943452
2,4-dimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 40793133
N-[(1S,2R)-2-methylcyclohexyl]-3-oxobenzo[f]chromene-2-carboxamide
CID 900146
2-amino-4-methoxy-N-(2-methylcyclopentyl)benzamide
CID 115413242
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-methoxy-2-oxochromene-3-carboxamide
CID 19229187
8-methoxy-N-[(1S,2R)-2-methylcyclohexyl]-6-nitro-2-oxochromene-3-carboxamide
CID 1244415
6,8-dichloro-N-[(1S,2R)-2-methylcyclohexyl]-2-oxochromene-3-carboxamide
CID 7366905
N-(2-hydroxycyclohexyl)-2-oxochromene-3-carboxamide
CID 62365593
6-methoxy-2-oxo-N-pyridin-4-ylchromene-3-carboxamide
CID 3786468
6-methoxy-N-(3-methoxypropyl)-2-oxochromene-3-carboxamide
CID 2148152
N-(2,6-difluorophenyl)-6-methoxy-2-oxochromene-3-carboxamide
CID 4059771

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(2-methylcyclohexyl)-2-oxochromene-3-carboxamide?
The IUPAC name of 6-methoxy-N-(2-methylcyclohexyl)-2-oxochromene-3-carboxamide (CID 2964707) is 6-methoxy-N-(2-methylcyclohexyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-(2-methylcyclohexyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for 6-methoxy-N-(2-methylcyclohexyl)-2-oxochromene-3-carboxamide is COc1ccc2oc(=O)c(C(=O)NC3CCCCC3C)cc2c1.
What is the InChIKey of 6-methoxy-N-(2-methylcyclohexyl)-2-oxochromene-3-carboxamide?
The InChIKey is KAQJHNJFVWRGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-11-5-3-4-6-15(11)19-17(20)14-10-12-9-13(22-2)7-8-16(12)23-18(14)21/h7-11,15H,3-6H2,1-2H3,(H,19,20).
What are the key properties of 6-methoxy-N-(2-methylcyclohexyl)-2-oxochromene-3-carboxamide?
6-methoxy-N-(2-methylcyclohexyl)-2-oxochromene-3-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(2-methylcyclohexyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 2964707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).