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

C17H19NO4 — CID 935150

IUPACN-cyclohexyl-7-methoxy-2-oxochromene-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NC3CCCCC3)c(=O)oc2c1
InChIInChI=1S/C17H19NO4/c1-21-13-8-7-11-9-14(17(20)22-15(11)10-13)16(19)18-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,18,19)
InChIKeyONRFVSQOYPNMKO-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.86
Rot. Bonds3

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

N-cyclohexyl-7-methoxy-2-oxochromene-3-carboxamide (PubChem CID 935150) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is N-cyclohexyl-7-methoxy-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-7-methoxy-2-oxochromene-3-carboxamide
PubChem CID935150
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC NameN-cyclohexyl-7-methoxy-2-oxochromene-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NC3CCCCC3)c(=O)oc2c1
InChIInChI=1S/C17H19NO4/c1-21-13-8-7-11-9-14(17(20)22-15(11)10-13)16(19)18-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,18,19)
InChIKeyONRFVSQOYPNMKO-UHFFFAOYSA-N
XLogP2.86
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.86
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-methoxy-2-oxochromene-3-carboxamide?
The IUPAC name of N-cyclohexyl-7-methoxy-2-oxochromene-3-carboxamide (CID 935150) is N-cyclohexyl-7-methoxy-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-7-methoxy-2-oxochromene-3-carboxamide?
The canonical SMILES for N-cyclohexyl-7-methoxy-2-oxochromene-3-carboxamide is COc1ccc2cc(C(=O)NC3CCCCC3)c(=O)oc2c1.
What is the InChIKey of N-cyclohexyl-7-methoxy-2-oxochromene-3-carboxamide?
The InChIKey is ONRFVSQOYPNMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-21-13-8-7-11-9-14(17(20)22-15(11)10-13)16(19)18-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,18,19).
What are the key properties of N-cyclohexyl-7-methoxy-2-oxochromene-3-carboxamide?
N-cyclohexyl-7-methoxy-2-oxochromene-3-carboxamide has a molecular weight of 301.34 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-7-methoxy-2-oxochromene-3-carboxamide is sourced from PubChem (CID 935150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).