N-cycloheptyl-7-methoxy-2-oxochromene-3-carboxamide

C18H21NO4 — CID 100795138

IUPACN-cycloheptyl-7-methoxy-2-oxochromene-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NC3CCCCCC3)c(=O)oc2c1
InChIInChI=1S/C18H21NO4/c1-22-14-9-8-12-10-15(18(21)23-16(12)11-14)17(20)19-13-6-4-2-3-5-7-13/h8-11,13H,2-7H2,1H3,(H,19,20)
InChIKeyREHNXEUHCYKJSL-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.25
Rot. Bonds3

About N-cycloheptyl-7-methoxy-2-oxochromene-3-carboxamide

N-cycloheptyl-7-methoxy-2-oxochromene-3-carboxamide (PubChem CID 100795138) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-cycloheptyl-7-methoxy-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-7-methoxy-2-oxochromene-3-carboxamide
PubChem CID100795138
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC NameN-cycloheptyl-7-methoxy-2-oxochromene-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NC3CCCCCC3)c(=O)oc2c1
InChIInChI=1S/C18H21NO4/c1-22-14-9-8-12-10-15(18(21)23-16(12)11-14)17(20)19-13-6-4-2-3-5-7-13/h8-11,13H,2-7H2,1H3,(H,19,20)
InChIKeyREHNXEUHCYKJSL-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
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-cyclohexyl-N-(cyclohexylcarbamoyl)-7-methoxy-2-oxochromene-3-carboxamide
CID 10025485
[3-(cyclohexylcarbamoyl)-2-oxochromen-7-yl] butanoate
CID 19185659
[3-(cyclohexylcarbamoyl)-2-oxochromen-7-yl] 4-(2-oxo-2-phenylacetyl)benzoate
CID 19186075
[3-(cyclohexylcarbamoyl)-2-oxochromen-7-yl] 2-(4-bromo-3-methylphenoxy)acetate
CID 19187072
6-methoxy-N-(2-methylcyclohexyl)-2-oxochromene-3-carboxamide
CID 2964707
N-cyclohexyl-2,5-dimethoxybenzamide
CID 8573659
6-bromo-N-cycloheptyl-2-oxochromene-3-carboxamide
CID 1246809
2-[(7-methoxy-2-oxochromene-3-carbonyl)amino]propanedioic acid
CID 20823648
7-methoxy-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide
CID 5262259
7-methoxy-2-oxo-N-[(3S,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]chromene-3-carboxamide
CID 118297625
N-cycloheptyl-7-methoxy-4-oxochromene-2-carboxamide
CID 51998192
N-cyclohexyl-7-methoxy-4-oxochromene-2-carboxamide
CID 51998191

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-7-methoxy-2-oxochromene-3-carboxamide?
The IUPAC name of N-cycloheptyl-7-methoxy-2-oxochromene-3-carboxamide (CID 100795138) is N-cycloheptyl-7-methoxy-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-7-methoxy-2-oxochromene-3-carboxamide?
The canonical SMILES for N-cycloheptyl-7-methoxy-2-oxochromene-3-carboxamide is COc1ccc2cc(C(=O)NC3CCCCCC3)c(=O)oc2c1.
What is the InChIKey of N-cycloheptyl-7-methoxy-2-oxochromene-3-carboxamide?
The InChIKey is REHNXEUHCYKJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-22-14-9-8-12-10-15(18(21)23-16(12)11-14)17(20)19-13-6-4-2-3-5-7-13/h8-11,13H,2-7H2,1H3,(H,19,20).
What are the key properties of N-cycloheptyl-7-methoxy-2-oxochromene-3-carboxamide?
N-cycloheptyl-7-methoxy-2-oxochromene-3-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-7-methoxy-2-oxochromene-3-carboxamide is sourced from PubChem (CID 100795138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).