2-[4-(5,7-dimethyl-2-oxo-4-phenylchromen-6-yl)phenyl]acetamide

C25H21NO3 — CID 72545234

IUPAC2-[4-(5,7-dimethyl-2-oxo-4-phenylchromen-6-yl)phenyl]acetamide
SMILESCc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1-c1ccc(CC(N)=O)cc1
InChIInChI=1S/C25H21NO3/c1-15-12-21-25(20(14-23(28)29-21)18-6-4-3-5-7-18)16(2)24(15)19-10-8-17(9-11-19)13-22(26)27/h3-12,14H,13H2,1-2H3,(H2,26,27)
InChIKeyPQUXEZRFBNSWTF-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.77
Rot. Bonds4

About 2-[4-(5,7-dimethyl-2-oxo-4-phenylchromen-6-yl)phenyl]acetamide

2-[4-(5,7-dimethyl-2-oxo-4-phenylchromen-6-yl)phenyl]acetamide (PubChem CID 72545234) has the molecular formula C25H21NO3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-[4-(5,7-dimethyl-2-oxo-4-phenylchromen-6-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(5,7-dimethyl-2-oxo-4-phenylchromen-6-yl)phenyl]acetamide
PubChem CID72545234
Molecular FormulaC25H21NO3
Molecular Weight383.45 g/mol
Exact Mass383.15
IUPAC Name2-[4-(5,7-dimethyl-2-oxo-4-phenylchromen-6-yl)phenyl]acetamide
SMILESCc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1-c1ccc(CC(N)=O)cc1
InChIInChI=1S/C25H21NO3/c1-15-12-21-25(20(14-23(28)29-21)18-6-4-3-5-7-18)16(2)24(15)19-10-8-17(9-11-19)13-22(26)27/h3-12,14H,13H2,1-2H3,(H2,26,27)
InChIKeyPQUXEZRFBNSWTF-UHFFFAOYSA-N
XLogP4.77
TPSA73.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,7-dimethyl-6-(4-methylphenyl)-4-phenylchromen-2-one
CID 6540169
N-[4-(5,7-dimethyl-2-oxo-4-phenylchromen-6-yl)phenyl]acetamide
CID 6540216
5,7-dimethyl-4-phenyl-6-pyridin-4-ylchromen-2-one
CID 71549486
6-[4-[ethyl(hexyl)amino]phenyl]-5,7-dimethyl-4-phenylchromen-2-one
CID 71548783
5-(5,7-dimethyl-2-oxo-4-phenylchromen-6-yl)-2-methoxybenzaldehyde
CID 6540217
4-(3-aminophenyl)-5,7-dimethyl-6-[4-(morpholin-4-ylmethyl)phenyl]chromen-2-one;dihydrochloride
CID 90665119
3-(4-hydroxyphenyl)-4-methyl-2,9-diphenylfuro[2,3-f]chromen-7-one
CID 14916297
2,3,4-trimethyl-9-phenylfuro[2,3-f]chromen-7-one
CID 707839
2-(3,4,5-triphenylphenyl)acetamide
CID 178028831
2-[5-(2-amino-2-oxoethoxy)-2-oxo-4-phenylchromen-7-yl]oxyacetamide
CID 166604349
4,6-dimethyl-2,3,5-triphenyl-1-benzofuran
CID 102583822
2-[(5-hydroxy-7-methyl-2-oxo-4-phenylchromen-6-yl)methylamino]pentanoic acid
CID 6229226

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5,7-dimethyl-2-oxo-4-phenylchromen-6-yl)phenyl]acetamide?
The IUPAC name of 2-[4-(5,7-dimethyl-2-oxo-4-phenylchromen-6-yl)phenyl]acetamide (CID 72545234) is 2-[4-(5,7-dimethyl-2-oxo-4-phenylchromen-6-yl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(5,7-dimethyl-2-oxo-4-phenylchromen-6-yl)phenyl]acetamide?
The canonical SMILES for 2-[4-(5,7-dimethyl-2-oxo-4-phenylchromen-6-yl)phenyl]acetamide is Cc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1-c1ccc(CC(N)=O)cc1.
What is the InChIKey of 2-[4-(5,7-dimethyl-2-oxo-4-phenylchromen-6-yl)phenyl]acetamide?
The InChIKey is PQUXEZRFBNSWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO3/c1-15-12-21-25(20(14-23(28)29-21)18-6-4-3-5-7-18)16(2)24(15)19-10-8-17(9-11-19)13-22(26)27/h3-12,14H,13H2,1-2H3,(H2,26,27).
What are the key properties of 2-[4-(5,7-dimethyl-2-oxo-4-phenylchromen-6-yl)phenyl]acetamide?
2-[4-(5,7-dimethyl-2-oxo-4-phenylchromen-6-yl)phenyl]acetamide has a molecular weight of 383.45 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5,7-dimethyl-2-oxo-4-phenylchromen-6-yl)phenyl]acetamide is sourced from PubChem (CID 72545234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).