N-(4-acetylphenyl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide

C21H19NO5 — CID 4901462

IUPACN-(4-acetylphenyl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide
SMILESCC(=O)c1ccc(NC(=O)COc2cc(C)cc3oc(=O)cc(C)c23)cc1
InChIInChI=1S/C21H19NO5/c1-12-8-17(21-13(2)10-20(25)27-18(21)9-12)26-11-19(24)22-16-6-4-15(5-7-16)14(3)23/h4-10H,11H2,1-3H3,(H,22,24)
InChIKeyDLEOMZOHNGHHOX-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.63
Rot. Bonds5

About N-(4-acetylphenyl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide

N-(4-acetylphenyl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide (PubChem CID 4901462) has the molecular formula C21H19NO5 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide
PubChem CID4901462
Molecular FormulaC21H19NO5
Molecular Weight365.39 g/mol
Exact Mass365.13
IUPAC NameN-(4-acetylphenyl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide
SMILESCC(=O)c1ccc(NC(=O)COc2cc(C)cc3oc(=O)cc(C)c23)cc1
InChIInChI=1S/C21H19NO5/c1-12-8-17(21-13(2)10-20(25)27-18(21)9-12)26-11-19(24)22-16-6-4-15(5-7-16)14(3)23/h4-10H,11H2,1-3H3,(H,22,24)
InChIKeyDLEOMZOHNGHHOX-UHFFFAOYSA-N
XLogP3.63
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-difluorophenyl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide
CID 4972127
N-(1,3-benzothiazol-2-yl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide
CID 4870875
N-(4-acetylphenyl)-2-(2,4,5-trimethylphenoxy)acetamide
CID 17360274
2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(2-phenylpropyl)acetamide
CID 4909677
[2-(4-acetylanilino)-2-oxoethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate
CID 24533770
N-(4-acetylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 1047129
2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide
CID 4905395
N-(4-acetylphenyl)-2-(4-methyl-2-nitrophenoxy)acetamide
CID 8559480
2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]-N-(4-phenylmethoxyphenyl)acetamide
CID 3832700
2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(4-methylphenyl)acetamide
CID 2207766
ethyl 4-[[2-(4-methyl-2-oxochromen-6-yl)oxyacetyl]amino]benzoate
CID 1329212
N-(4-acetylphenyl)-2-(2,5-dichlorophenoxy)acetamide
CID 724281

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide?
The IUPAC name of N-(4-acetylphenyl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide (CID 4901462) is N-(4-acetylphenyl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide is CC(=O)c1ccc(NC(=O)COc2cc(C)cc3oc(=O)cc(C)c23)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide?
The InChIKey is DLEOMZOHNGHHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO5/c1-12-8-17(21-13(2)10-20(25)27-18(21)9-12)26-11-19(24)22-16-6-4-15(5-7-16)14(3)23/h4-10H,11H2,1-3H3,(H,22,24).
What are the key properties of N-(4-acetylphenyl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide?
N-(4-acetylphenyl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide has a molecular weight of 365.39 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide is sourced from PubChem (CID 4901462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).