2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(4-phenylmethoxyphenyl)acetamide

C25H21NO6 — CID 6226446

IUPAC2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(4-phenylmethoxyphenyl)acetamide
SMILESCc1c(CC(=O)Nc2ccc(OCc3ccccc3)cc2)c(=O)oc2cc(O)cc(O)c12
InChIInChI=1S/C25H21NO6/c1-15-20(25(30)32-22-12-18(27)11-21(28)24(15)22)13-23(29)26-17-7-9-19(10-8-17)31-14-16-5-3-2-4-6-16/h2-12,27-28H,13-14H2,1H3,(H,26,29)
InChIKeyRJTHJEMYFWFJDW-UHFFFAOYSA-N
MW431.44 g/mol
LogP4.27
Rot. Bonds6

About 2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(4-phenylmethoxyphenyl)acetamide

2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(4-phenylmethoxyphenyl)acetamide (PubChem CID 6226446) has the molecular formula C25H21NO6 and a molecular weight of 431.44 g/mol. Its IUPAC name is 2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(4-phenylmethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(4-phenylmethoxyphenyl)acetamide
PubChem CID6226446
Molecular FormulaC25H21NO6
Molecular Weight431.44 g/mol
Exact Mass431.14
IUPAC Name2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(4-phenylmethoxyphenyl)acetamide
SMILESCc1c(CC(=O)Nc2ccc(OCc3ccccc3)cc2)c(=O)oc2cc(O)cc(O)c12
InChIInChI=1S/C25H21NO6/c1-15-20(25(30)32-22-12-18(27)11-21(28)24(15)22)13-23(29)26-17-7-9-19(10-8-17)31-14-16-5-3-2-4-6-16/h2-12,27-28H,13-14H2,1H3,(H,26,29)
InChIKeyRJTHJEMYFWFJDW-UHFFFAOYSA-N
XLogP4.27
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.44
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 6227079
2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(1-phenylethyl)acetamide
CID 6221957
N-(2-chlorophenyl)-2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 6236971
2-(5-hydroxy-4,7-dimethyl-2-oxochromen-3-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 6226280
2-(3-methylphenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 113098761
2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]-N-(4-phenylmethoxyphenyl)acetamide
CID 3832700
2-(2-methylphenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 8573191
2-(2,5-dimethylphenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 46769353
methyl 3-oxo-3-(4-phenylmethoxyanilino)propanoate
CID 28638020
2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-[(2R)-4-(furan-2-yl)butan-2-yl]acetamide
CID 40816601
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(4-phenylmethoxyphenyl)acetamide
CID 27650114
2-(3,4-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
CID 4947508

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(4-phenylmethoxyphenyl)acetamide?
The IUPAC name of 2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(4-phenylmethoxyphenyl)acetamide (CID 6226446) is 2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(4-phenylmethoxyphenyl)acetamide.
What is the SMILES notation for 2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(4-phenylmethoxyphenyl)acetamide?
The canonical SMILES for 2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(4-phenylmethoxyphenyl)acetamide is Cc1c(CC(=O)Nc2ccc(OCc3ccccc3)cc2)c(=O)oc2cc(O)cc(O)c12.
What is the InChIKey of 2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(4-phenylmethoxyphenyl)acetamide?
The InChIKey is RJTHJEMYFWFJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO6/c1-15-20(25(30)32-22-12-18(27)11-21(28)24(15)22)13-23(29)26-17-7-9-19(10-8-17)31-14-16-5-3-2-4-6-16/h2-12,27-28H,13-14H2,1H3,(H,26,29).
What are the key properties of 2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(4-phenylmethoxyphenyl)acetamide?
2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(4-phenylmethoxyphenyl)acetamide has a molecular weight of 431.44 g/mol, XLogP of 4.27, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(4-phenylmethoxyphenyl)acetamide is sourced from PubChem (CID 6226446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).