2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]-N-(3-morpholin-4-ylpropyl)acetamide

C22H28N2O5 — CID 4911782

IUPAC2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCc1cc(OCC(=O)NCCCN2CCOCC2)c2c3c(c(=O)oc2c1)CCC3
InChIInChI=1S/C22H28N2O5/c1-15-12-18(21-16-4-2-5-17(16)22(26)29-19(21)13-15)28-14-20(25)23-6-3-7-24-8-10-27-11-9-24/h12-13H,2-11,14H2,1H3,(H,23,25)
InChIKeyBEQOIEAUZMSIPX-UHFFFAOYSA-N
MW400.48 g/mol
LogP1.81
Rot. Bonds7

About 2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]-N-(3-morpholin-4-ylpropyl)acetamide

2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 4911782) has the molecular formula C22H28N2O5 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID4911782
Molecular FormulaC22H28N2O5
Molecular Weight400.48 g/mol
Exact Mass400.20
IUPAC Name2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCc1cc(OCC(=O)NCCCN2CCOCC2)c2c3c(c(=O)oc2c1)CCC3
InChIInChI=1S/C22H28N2O5/c1-15-12-18(21-16-4-2-5-17(16)22(26)29-19(21)13-15)28-14-20(25)23-6-3-7-24-8-10-27-11-9-24/h12-13H,2-11,14H2,1H3,(H,23,25)
InChIKeyBEQOIEAUZMSIPX-UHFFFAOYSA-N
XLogP1.81
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]-N-(3-morpholin-4-ylpropyl)acetamide (CID 4911782) is 2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]-N-(3-morpholin-4-ylpropyl)acetamide is Cc1cc(OCC(=O)NCCCN2CCOCC2)c2c3c(c(=O)oc2c1)CCC3.
What is the InChIKey of 2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is BEQOIEAUZMSIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5/c1-15-12-18(21-16-4-2-5-17(16)22(26)29-19(21)13-15)28-14-20(25)23-6-3-7-24-8-10-27-11-9-24/h12-13H,2-11,14H2,1H3,(H,23,25).
What are the key properties of 2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]-N-(3-morpholin-4-ylpropyl)acetamide?
2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 400.48 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 4911782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).