N-cyclohexyl-7-methoxy-2-oxo-8-propoxychromene-3-carboxamide

C20H25NO5 — CID 72715448

IUPACN-cyclohexyl-7-methoxy-2-oxo-8-propoxychromene-3-carboxamide
SMILESCCCOc1c(OC)ccc2cc(C(=O)NC3CCCCC3)c(=O)oc12
InChIInChI=1S/C20H25NO5/c1-3-11-25-18-16(24-2)10-9-13-12-15(20(23)26-17(13)18)19(22)21-14-7-5-4-6-8-14/h9-10,12,14H,3-8,11H2,1-2H3,(H,21,22)
InChIKeyAJVPUNJYFILEKO-UHFFFAOYSA-N
MW359.42 g/mol
LogP3.65
Rot. Bonds6

About N-cyclohexyl-7-methoxy-2-oxo-8-propoxychromene-3-carboxamide

N-cyclohexyl-7-methoxy-2-oxo-8-propoxychromene-3-carboxamide (PubChem CID 72715448) has the molecular formula C20H25NO5 and a molecular weight of 359.42 g/mol. Its IUPAC name is N-cyclohexyl-7-methoxy-2-oxo-8-propoxychromene-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-7-methoxy-2-oxo-8-propoxychromene-3-carboxamide
PubChem CID72715448
Molecular FormulaC20H25NO5
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC NameN-cyclohexyl-7-methoxy-2-oxo-8-propoxychromene-3-carboxamide
SMILESCCCOc1c(OC)ccc2cc(C(=O)NC3CCCCC3)c(=O)oc12
InChIInChI=1S/C20H25NO5/c1-3-11-25-18-16(24-2)10-9-13-12-15(20(23)26-17(13)18)19(22)21-14-7-5-4-6-8-14/h9-10,12,14H,3-8,11H2,1-2H3,(H,21,22)
InChIKeyAJVPUNJYFILEKO-UHFFFAOYSA-N
XLogP3.65
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-oxo-8-propoxychromene-3-carboxamide?
The IUPAC name of N-cyclohexyl-7-methoxy-2-oxo-8-propoxychromene-3-carboxamide (CID 72715448) is N-cyclohexyl-7-methoxy-2-oxo-8-propoxychromene-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-7-methoxy-2-oxo-8-propoxychromene-3-carboxamide?
The canonical SMILES for N-cyclohexyl-7-methoxy-2-oxo-8-propoxychromene-3-carboxamide is CCCOc1c(OC)ccc2cc(C(=O)NC3CCCCC3)c(=O)oc12.
What is the InChIKey of N-cyclohexyl-7-methoxy-2-oxo-8-propoxychromene-3-carboxamide?
The InChIKey is AJVPUNJYFILEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5/c1-3-11-25-18-16(24-2)10-9-13-12-15(20(23)26-17(13)18)19(22)21-14-7-5-4-6-8-14/h9-10,12,14H,3-8,11H2,1-2H3,(H,21,22).
What are the key properties of N-cyclohexyl-7-methoxy-2-oxo-8-propoxychromene-3-carboxamide?
N-cyclohexyl-7-methoxy-2-oxo-8-propoxychromene-3-carboxamide has a molecular weight of 359.42 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-7-methoxy-2-oxo-8-propoxychromene-3-carboxamide is sourced from PubChem (CID 72715448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).