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

C22H29NO5 — CID 72715447

IUPACN-cyclohexyl-7-methoxy-2-oxo-8-pentoxychromene-3-carboxamide
SMILESCCCCCOc1c(OC)ccc2cc(C(=O)NC3CCCCC3)c(=O)oc12
InChIInChI=1S/C22H29NO5/c1-3-4-8-13-27-20-18(26-2)12-11-15-14-17(22(25)28-19(15)20)21(24)23-16-9-6-5-7-10-16/h11-12,14,16H,3-10,13H2,1-2H3,(H,23,24)
InChIKeyXENMXZNGXMHMSP-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.43
Rot. Bonds8

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

N-cyclohexyl-7-methoxy-2-oxo-8-pentoxychromene-3-carboxamide (PubChem CID 72715447) has the molecular formula C22H29NO5 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-cyclohexyl-7-methoxy-2-oxo-8-pentoxychromene-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-7-methoxy-2-oxo-8-pentoxychromene-3-carboxamide
PubChem CID72715447
Molecular FormulaC22H29NO5
Molecular Weight387.48 g/mol
Exact Mass387.20
IUPAC NameN-cyclohexyl-7-methoxy-2-oxo-8-pentoxychromene-3-carboxamide
SMILESCCCCCOc1c(OC)ccc2cc(C(=O)NC3CCCCC3)c(=O)oc12
InChIInChI=1S/C22H29NO5/c1-3-4-8-13-27-20-18(26-2)12-11-15-14-17(22(25)28-19(15)20)21(24)23-16-9-6-5-7-10-16/h11-12,14,16H,3-10,13H2,1-2H3,(H,23,24)
InChIKeyXENMXZNGXMHMSP-UHFFFAOYSA-N
XLogP4.43
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-7-methoxy-2-oxo-8-pentoxychromene-3-carboxamide?
The IUPAC name of N-cyclohexyl-7-methoxy-2-oxo-8-pentoxychromene-3-carboxamide (CID 72715447) is N-cyclohexyl-7-methoxy-2-oxo-8-pentoxychromene-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-7-methoxy-2-oxo-8-pentoxychromene-3-carboxamide?
The canonical SMILES for N-cyclohexyl-7-methoxy-2-oxo-8-pentoxychromene-3-carboxamide is CCCCCOc1c(OC)ccc2cc(C(=O)NC3CCCCC3)c(=O)oc12.
What is the InChIKey of N-cyclohexyl-7-methoxy-2-oxo-8-pentoxychromene-3-carboxamide?
The InChIKey is XENMXZNGXMHMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO5/c1-3-4-8-13-27-20-18(26-2)12-11-15-14-17(22(25)28-19(15)20)21(24)23-16-9-6-5-7-10-16/h11-12,14,16H,3-10,13H2,1-2H3,(H,23,24).
What are the key properties of N-cyclohexyl-7-methoxy-2-oxo-8-pentoxychromene-3-carboxamide?
N-cyclohexyl-7-methoxy-2-oxo-8-pentoxychromene-3-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 4.43, 8 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-pentoxychromene-3-carboxamide is sourced from PubChem (CID 72715447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).