N-cyclohexyl-2-oxo-8-pentoxychromene-3-carboxamide

C21H27NO4 — CID 72715697

IUPACN-cyclohexyl-2-oxo-8-pentoxychromene-3-carboxamide
SMILESCCCCCOc1cccc2cc(C(=O)NC3CCCCC3)c(=O)oc12
InChIInChI=1S/C21H27NO4/c1-2-3-7-13-25-18-12-8-9-15-14-17(21(24)26-19(15)18)20(23)22-16-10-5-4-6-11-16/h8-9,12,14,16H,2-7,10-11,13H2,1H3,(H,22,23)
InChIKeyJHOXQGXPJJELKF-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.42
Rot. Bonds7

About N-cyclohexyl-2-oxo-8-pentoxychromene-3-carboxamide

N-cyclohexyl-2-oxo-8-pentoxychromene-3-carboxamide (PubChem CID 72715697) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-cyclohexyl-2-oxo-8-pentoxychromene-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-oxo-8-pentoxychromene-3-carboxamide
PubChem CID72715697
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC NameN-cyclohexyl-2-oxo-8-pentoxychromene-3-carboxamide
SMILESCCCCCOc1cccc2cc(C(=O)NC3CCCCC3)c(=O)oc12
InChIInChI=1S/C21H27NO4/c1-2-3-7-13-25-18-12-8-9-15-14-17(21(24)26-19(15)18)20(23)22-16-10-5-4-6-11-16/h8-9,12,14,16H,2-7,10-11,13H2,1H3,(H,22,23)
InChIKeyJHOXQGXPJJELKF-UHFFFAOYSA-N
XLogP4.42
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-oxo-8-pentoxychromene-3-carboxamide?
The IUPAC name of N-cyclohexyl-2-oxo-8-pentoxychromene-3-carboxamide (CID 72715697) is N-cyclohexyl-2-oxo-8-pentoxychromene-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-oxo-8-pentoxychromene-3-carboxamide?
The canonical SMILES for N-cyclohexyl-2-oxo-8-pentoxychromene-3-carboxamide is CCCCCOc1cccc2cc(C(=O)NC3CCCCC3)c(=O)oc12.
What is the InChIKey of N-cyclohexyl-2-oxo-8-pentoxychromene-3-carboxamide?
The InChIKey is JHOXQGXPJJELKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4/c1-2-3-7-13-25-18-12-8-9-15-14-17(21(24)26-19(15)18)20(23)22-16-10-5-4-6-11-16/h8-9,12,14,16H,2-7,10-11,13H2,1H3,(H,22,23).
What are the key properties of N-cyclohexyl-2-oxo-8-pentoxychromene-3-carboxamide?
N-cyclohexyl-2-oxo-8-pentoxychromene-3-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-oxo-8-pentoxychromene-3-carboxamide is sourced from PubChem (CID 72715697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).