N-cyclohexyl-2-oxo-7-phenylmethoxychromene-3-carboxamide

C23H23NO4 — CID 42618007

IUPACN-cyclohexyl-2-oxo-7-phenylmethoxychromene-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cc2ccc(OCc3ccccc3)cc2oc1=O
InChIInChI=1S/C23H23NO4/c25-22(24-18-9-5-2-6-10-18)20-13-17-11-12-19(14-21(17)28-23(20)26)27-15-16-7-3-1-4-8-16/h1,3-4,7-8,11-14,18H,2,5-6,9-10,15H2,(H,24,25)
InChIKeyKSVJRMDHPQQMRA-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.43
Rot. Bonds5

About N-cyclohexyl-2-oxo-7-phenylmethoxychromene-3-carboxamide

N-cyclohexyl-2-oxo-7-phenylmethoxychromene-3-carboxamide (PubChem CID 42618007) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-cyclohexyl-2-oxo-7-phenylmethoxychromene-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-oxo-7-phenylmethoxychromene-3-carboxamide
PubChem CID42618007
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC NameN-cyclohexyl-2-oxo-7-phenylmethoxychromene-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cc2ccc(OCc3ccccc3)cc2oc1=O
InChIInChI=1S/C23H23NO4/c25-22(24-18-9-5-2-6-10-18)20-13-17-11-12-19(14-21(17)28-23(20)26)27-15-16-7-3-1-4-8-16/h1,3-4,7-8,11-14,18H,2,5-6,9-10,15H2,(H,24,25)
InChIKeyKSVJRMDHPQQMRA-UHFFFAOYSA-N
XLogP4.43
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.43
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-2-oxo-7-phenylmethoxychromene-3-carboxamide?
The IUPAC name of N-cyclohexyl-2-oxo-7-phenylmethoxychromene-3-carboxamide (CID 42618007) is N-cyclohexyl-2-oxo-7-phenylmethoxychromene-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-oxo-7-phenylmethoxychromene-3-carboxamide?
The canonical SMILES for N-cyclohexyl-2-oxo-7-phenylmethoxychromene-3-carboxamide is O=C(NC1CCCCC1)c1cc2ccc(OCc3ccccc3)cc2oc1=O.
What is the InChIKey of N-cyclohexyl-2-oxo-7-phenylmethoxychromene-3-carboxamide?
The InChIKey is KSVJRMDHPQQMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4/c25-22(24-18-9-5-2-6-10-18)20-13-17-11-12-19(14-21(17)28-23(20)26)27-15-16-7-3-1-4-8-16/h1,3-4,7-8,11-14,18H,2,5-6,9-10,15H2,(H,24,25).
What are the key properties of N-cyclohexyl-2-oxo-7-phenylmethoxychromene-3-carboxamide?
N-cyclohexyl-2-oxo-7-phenylmethoxychromene-3-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-oxo-7-phenylmethoxychromene-3-carboxamide is sourced from PubChem (CID 42618007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).