N-cyclohexyl-7-ethoxy-2-oxochromene-3-carboxamide

C18H21NO4 — CID 5262766

IUPACN-cyclohexyl-7-ethoxy-2-oxochromene-3-carboxamide
SMILESCCOc1ccc2cc(C(=O)NC3CCCCC3)c(=O)oc2c1
InChIInChI=1S/C18H21NO4/c1-2-22-14-9-8-12-10-15(18(21)23-16(12)11-14)17(20)19-13-6-4-3-5-7-13/h8-11,13H,2-7H2,1H3,(H,19,20)
InChIKeyOZHRRBRVSPMREH-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.25
Rot. Bonds4

About N-cyclohexyl-7-ethoxy-2-oxochromene-3-carboxamide

N-cyclohexyl-7-ethoxy-2-oxochromene-3-carboxamide (PubChem CID 5262766) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-cyclohexyl-7-ethoxy-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-7-ethoxy-2-oxochromene-3-carboxamide
PubChem CID5262766
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC NameN-cyclohexyl-7-ethoxy-2-oxochromene-3-carboxamide
SMILESCCOc1ccc2cc(C(=O)NC3CCCCC3)c(=O)oc2c1
InChIInChI=1S/C18H21NO4/c1-2-22-14-9-8-12-10-15(18(21)23-16(12)11-14)17(20)19-13-6-4-3-5-7-13/h8-11,13H,2-7H2,1H3,(H,19,20)
InChIKeyOZHRRBRVSPMREH-UHFFFAOYSA-N
XLogP3.25
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-7-ethoxy-2-oxochromene-3-carboxamide?
The IUPAC name of N-cyclohexyl-7-ethoxy-2-oxochromene-3-carboxamide (CID 5262766) is N-cyclohexyl-7-ethoxy-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-7-ethoxy-2-oxochromene-3-carboxamide?
The canonical SMILES for N-cyclohexyl-7-ethoxy-2-oxochromene-3-carboxamide is CCOc1ccc2cc(C(=O)NC3CCCCC3)c(=O)oc2c1.
What is the InChIKey of N-cyclohexyl-7-ethoxy-2-oxochromene-3-carboxamide?
The InChIKey is OZHRRBRVSPMREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-2-22-14-9-8-12-10-15(18(21)23-16(12)11-14)17(20)19-13-6-4-3-5-7-13/h8-11,13H,2-7H2,1H3,(H,19,20).
What are the key properties of N-cyclohexyl-7-ethoxy-2-oxochromene-3-carboxamide?
N-cyclohexyl-7-ethoxy-2-oxochromene-3-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-7-ethoxy-2-oxochromene-3-carboxamide is sourced from PubChem (CID 5262766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).