N-cyclohexyl-2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetamide

C22H23NO5 — CID 1305726

IUPACN-cyclohexyl-2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetamide
SMILESCOc1ccc2c(c1)c(=O)oc1cc(OCC(=O)NC3CCCCC3)ccc12
InChIInChI=1S/C22H23NO5/c1-26-15-7-9-17-18-10-8-16(12-20(18)28-22(25)19(17)11-15)27-13-21(24)23-14-5-3-2-4-6-14/h7-12,14H,2-6,13H2,1H3,(H,23,24)
InChIKeyOVYJLQGRKUOMMA-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.78
Rot. Bonds5

About N-cyclohexyl-2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetamide

N-cyclohexyl-2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetamide (PubChem CID 1305726) has the molecular formula C22H23NO5 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-cyclohexyl-2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetamide
PubChem CID1305726
Molecular FormulaC22H23NO5
Molecular Weight381.43 g/mol
Exact Mass381.16
IUPAC NameN-cyclohexyl-2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetamide
SMILESCOc1ccc2c(c1)c(=O)oc1cc(OCC(=O)NC3CCCCC3)ccc12
InChIInChI=1S/C22H23NO5/c1-26-15-7-9-17-18-10-8-16(12-20(18)28-22(25)19(17)11-15)27-13-21(24)23-14-5-3-2-4-6-14/h7-12,14H,2-6,13H2,1H3,(H,23,24)
InChIKeyOVYJLQGRKUOMMA-UHFFFAOYSA-N
XLogP3.78
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'coumarin_A(2)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-cyclohexyl-2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetamide?
The IUPAC name of N-cyclohexyl-2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetamide (CID 1305726) is N-cyclohexyl-2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetamide.
What is the SMILES notation for N-cyclohexyl-2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetamide?
The canonical SMILES for N-cyclohexyl-2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetamide is COc1ccc2c(c1)c(=O)oc1cc(OCC(=O)NC3CCCCC3)ccc12.
What is the InChIKey of N-cyclohexyl-2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetamide?
The InChIKey is OVYJLQGRKUOMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO5/c1-26-15-7-9-17-18-10-8-16(12-20(18)28-22(25)19(17)11-15)27-13-21(24)23-14-5-3-2-4-6-14/h7-12,14H,2-6,13H2,1H3,(H,23,24).
What are the key properties of N-cyclohexyl-2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetamide?
N-cyclohexyl-2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetamide has a molecular weight of 381.43 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetamide is sourced from PubChem (CID 1305726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).