N-cyclohexyl-N-(cyclohexylcarbamoyl)-7-methoxy-2-oxochromene-3-carboxamide

C24H30N2O5 — CID 10025485

IUPACN-cyclohexyl-N-(cyclohexylcarbamoyl)-7-methoxy-2-oxochromene-3-carboxamide
SMILESCOc1ccc2cc(C(=O)N(C(=O)NC3CCCCC3)C3CCCCC3)c(=O)oc2c1
InChIInChI=1S/C24H30N2O5/c1-30-19-13-12-16-14-20(23(28)31-21(16)15-19)22(27)26(18-10-6-3-7-11-18)24(29)25-17-8-4-2-5-9-17/h12-15,17-18H,2-11H2,1H3,(H,25,29)
InChIKeyQGDJTRAVZRDVHK-UHFFFAOYSA-N
MW426.51 g/mol
LogP4.62
Rot. Bonds4

About N-cyclohexyl-N-(cyclohexylcarbamoyl)-7-methoxy-2-oxochromene-3-carboxamide

N-cyclohexyl-N-(cyclohexylcarbamoyl)-7-methoxy-2-oxochromene-3-carboxamide (PubChem CID 10025485) has the molecular formula C24H30N2O5 and a molecular weight of 426.51 g/mol. Its IUPAC name is N-cyclohexyl-N-(cyclohexylcarbamoyl)-7-methoxy-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(cyclohexylcarbamoyl)-7-methoxy-2-oxochromene-3-carboxamide
PubChem CID10025485
Molecular FormulaC24H30N2O5
Molecular Weight426.51 g/mol
Exact Mass426.22
IUPAC NameN-cyclohexyl-N-(cyclohexylcarbamoyl)-7-methoxy-2-oxochromene-3-carboxamide
SMILESCOc1ccc2cc(C(=O)N(C(=O)NC3CCCCC3)C3CCCCC3)c(=O)oc2c1
InChIInChI=1S/C24H30N2O5/c1-30-19-13-12-16-14-20(23(28)31-21(16)15-19)22(27)26(18-10-6-3-7-11-18)24(29)25-17-8-4-2-5-9-17/h12-15,17-18H,2-11H2,1H3,(H,25,29)
InChIKeyQGDJTRAVZRDVHK-UHFFFAOYSA-N
XLogP4.62
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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
[3-(cyclohexylcarbamoyl)-2-oxochromen-7-yl] butanoate
CID 19185659
[3-(butylcarbamoyl)-2-oxochromen-7-yl] cyclohexanecarboxylate
CID 19182001
[3-(cyclohexylcarbamoyl)-2-oxochromen-7-yl] 4-(2-oxo-2-phenylacetyl)benzoate
CID 19186075
7-methoxy-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide
CID 5262259
dimethyl 2-(cyclohexylamino)-5-[cyclohexyl-[7-(diethylamino)-2-oxochromene-3-carbonyl]amino]furan-3,4-dicarboxylate
CID 102259131
N-cycloheptyl-7-methoxy-4-oxochromene-2-carboxamide
CID 51998192
N-cyclohexyl-7-methoxy-4-oxochromene-2-carboxamide
CID 51998191
7-methoxy-3-prop-1-en-2-ylchromen-2-one
CID 24787160
[3-(cyclohexylcarbamoyl)-2-oxochromen-7-yl] 2-(4-bromo-3-methylphenoxy)acetate
CID 19187072
7-cyclopentyloxy-2-oxochromene-3-carbonyl chloride
CID 166072606
6-methoxy-N-(2-methylcyclohexyl)-2-oxochromene-3-carboxamide
CID 2964707

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(cyclohexylcarbamoyl)-7-methoxy-2-oxochromene-3-carboxamide?
The IUPAC name of N-cyclohexyl-N-(cyclohexylcarbamoyl)-7-methoxy-2-oxochromene-3-carboxamide (CID 10025485) is N-cyclohexyl-N-(cyclohexylcarbamoyl)-7-methoxy-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-(cyclohexylcarbamoyl)-7-methoxy-2-oxochromene-3-carboxamide?
The canonical SMILES for N-cyclohexyl-N-(cyclohexylcarbamoyl)-7-methoxy-2-oxochromene-3-carboxamide is COc1ccc2cc(C(=O)N(C(=O)NC3CCCCC3)C3CCCCC3)c(=O)oc2c1.
What is the InChIKey of N-cyclohexyl-N-(cyclohexylcarbamoyl)-7-methoxy-2-oxochromene-3-carboxamide?
The InChIKey is QGDJTRAVZRDVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5/c1-30-19-13-12-16-14-20(23(28)31-21(16)15-19)22(27)26(18-10-6-3-7-11-18)24(29)25-17-8-4-2-5-9-17/h12-15,17-18H,2-11H2,1H3,(H,25,29).
What are the key properties of N-cyclohexyl-N-(cyclohexylcarbamoyl)-7-methoxy-2-oxochromene-3-carboxamide?
N-cyclohexyl-N-(cyclohexylcarbamoyl)-7-methoxy-2-oxochromene-3-carboxamide has a molecular weight of 426.51 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(cyclohexylcarbamoyl)-7-methoxy-2-oxochromene-3-carboxamide is sourced from PubChem (CID 10025485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).