N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

C23H21NO6 — CID 108743056

IUPACN-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)Nc3ccc4c(c3)C(=O)CC(C)(C)O4)ccc12
InChIInChI=1S/C23H21NO6/c1-13-8-22(27)29-20-10-15(5-6-16(13)20)28-12-21(26)24-14-4-7-19-17(9-14)18(25)11-23(2,3)30-19/h4-10H,11-12H2,1-3H3,(H,24,26)
InChIKeyMDBPWZJFYRXMGA-UHFFFAOYSA-N
MW407.42 g/mol
LogP3.86
Rot. Bonds4

About N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (PubChem CID 108743056) has the molecular formula C23H21NO6 and a molecular weight of 407.42 g/mol. Its IUPAC name is N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
PubChem CID108743056
Molecular FormulaC23H21NO6
Molecular Weight407.42 g/mol
Exact Mass407.14
IUPAC NameN-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)Nc3ccc4c(c3)C(=O)CC(C)(C)O4)ccc12
InChIInChI=1S/C23H21NO6/c1-13-8-22(27)29-20-10-15(5-6-16(13)20)28-12-21(26)24-14-4-7-19-17(9-14)18(25)11-23(2,3)30-19/h4-10H,11-12H2,1-3H3,(H,24,26)
InChIKeyMDBPWZJFYRXMGA-UHFFFAOYSA-N
XLogP3.86
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-iodophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 1346536
2-(4-chlorophenoxy)-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 2675768
6-methyl-1'-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734544
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 3930215
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1149747
N-(4-fluorophenyl)-2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetamide
CID 7967934
N-(3,4-dimethylphenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 7699405
N-[(4-methoxyphenyl)carbamoyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 12585323
N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 16524830
N'-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]-2-(4-methylphenoxy)acetohydrazide
CID 19166677
N-ethyl-3-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]benzamide
CID 26000046
N-cyclopropyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 2571495

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (CID 108743056) is N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is Cc1cc(=O)oc2cc(OCC(=O)Nc3ccc4c(c3)C(=O)CC(C)(C)O4)ccc12.
What is the InChIKey of N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The InChIKey is MDBPWZJFYRXMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO6/c1-13-8-22(27)29-20-10-15(5-6-16(13)20)28-12-21(26)24-14-4-7-19-17(9-14)18(25)11-23(2,3)30-19/h4-10H,11-12H2,1-3H3,(H,24,26).
What are the key properties of N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide has a molecular weight of 407.42 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 108743056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).