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

C24H24N2O5 — CID 2525314

IUPACN-(4-morpholin-4-ylphenyl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide
SMILESO=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H24N2O5/c27-23(25-16-4-6-17(7-5-16)26-10-12-29-13-11-26)15-30-18-8-9-20-19-2-1-3-21(19)24(28)31-22(20)14-18/h4-9,14H,1-3,10-13,15H2,(H,25,27)
InChIKeyPVQGSAKYUOSZFF-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.14
Rot. Bonds5

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

N-(4-morpholin-4-ylphenyl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide (PubChem CID 2525314) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide
PubChem CID2525314
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC NameN-(4-morpholin-4-ylphenyl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide
SMILESO=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H24N2O5/c27-23(25-16-4-6-17(7-5-16)26-10-12-29-13-11-26)15-30-18-8-9-20-19-2-1-3-21(19)24(28)31-22(20)14-18/h4-9,14H,1-3,10-13,15H2,(H,25,27)
InChIKeyPVQGSAKYUOSZFF-UHFFFAOYSA-N
XLogP3.14
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze N-(4-morpholin-4-ylphenyl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide with MolForge

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Related Compounds

N-(4-chlorophenyl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide
CID 7740212
N-(3-morpholin-4-ylpropyl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide
CID 4908914
3-[2-oxo-2-(4-pyrrolidin-1-ylphenyl)ethoxy]-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
CID 2206668
N-(2-methyl-1,3-benzothiazol-6-yl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide
CID 7915185
N-(5-fluoro-2-methylphenyl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide
CID 7774634
N-(4-morpholin-4-ylphenyl)-2-phenoxyacetamide
CID 675127
methyl 2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetate
CID 2055069
N-(6-morpholin-4-yl-3-pyridinyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 37274733
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide
CID 71754271
N-[4-(azepan-1-yl)phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 7582308
[2-(2-methylpropylamino)-2-oxoethyl] 2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetate
CID 7983108
N-(1-adamantylmethyl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide
CID 7921272

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide (CID 2525314) is N-(4-morpholin-4-ylphenyl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide is O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide?
The InChIKey is PVQGSAKYUOSZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5/c27-23(25-16-4-6-17(7-5-16)26-10-12-29-13-11-26)15-30-18-8-9-20-19-2-1-3-21(19)24(28)31-22(20)14-18/h4-9,14H,1-3,10-13,15H2,(H,25,27).
What are the key properties of N-(4-morpholin-4-ylphenyl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide?
N-(4-morpholin-4-ylphenyl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide has a molecular weight of 420.47 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide is sourced from PubChem (CID 2525314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).