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

C25H21NO3 — CID 6540216

IUPACN-[4-(5,7-dimethyl-2-oxo-4-phenylchromen-6-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2c(C)cc3oc(=O)cc(-c4ccccc4)c3c2C)cc1
InChIInChI=1S/C25H21NO3/c1-15-13-22-25(21(14-23(28)29-22)18-7-5-4-6-8-18)16(2)24(15)19-9-11-20(12-10-19)26-17(3)27/h4-14H,1-3H3,(H,26,27)
InChIKeyKSFULINLCSKFML-UHFFFAOYSA-N
MW383.45 g/mol
LogP5.70
Rot. Bonds3

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

N-[4-(5,7-dimethyl-2-oxo-4-phenylchromen-6-yl)phenyl]acetamide (PubChem CID 6540216) has the molecular formula C25H21NO3 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[4-(5,7-dimethyl-2-oxo-4-phenylchromen-6-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(5,7-dimethyl-2-oxo-4-phenylchromen-6-yl)phenyl]acetamide
PubChem CID6540216
Molecular FormulaC25H21NO3
Molecular Weight383.45 g/mol
Exact Mass383.15
IUPAC NameN-[4-(5,7-dimethyl-2-oxo-4-phenylchromen-6-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2c(C)cc3oc(=O)cc(-c4ccccc4)c3c2C)cc1
InChIInChI=1S/C25H21NO3/c1-15-13-22-25(21(14-23(28)29-22)18-7-5-4-6-8-18)16(2)24(15)19-9-11-20(12-10-19)26-17(3)27/h4-14H,1-3H3,(H,26,27)
InChIKeyKSFULINLCSKFML-UHFFFAOYSA-N
XLogP5.70
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.45
LogP ≤ 55.70
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
5,7-dimethyl-4-phenyl-6-pyridin-4-ylchromen-2-one
CID 71549486
2-[4-(5,7-dimethyl-2-oxo-4-phenylchromen-6-yl)phenyl]acetamide
CID 72545234
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
2,3,4-trimethyl-9-phenylfuro[2,3-f]chromen-7-one
CID 707839
3-(4-hydroxyphenyl)-4-methyl-2,9-diphenylfuro[2,3-f]chromen-7-one
CID 14916297
N-(4-phenylphenyl)acetamide
CID 19998
CID 174682832
CID 174682832
4,6-dimethyl-2,3,5-triphenyl-1-benzofuran
CID 102583822
7-methyl-5-[(2S)-3-oxobutan-2-yl]oxy-4-phenylchromen-2-one
CID 2325275
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 N-[4-(5,7-dimethyl-2-oxo-4-phenylchromen-6-yl)phenyl]acetamide?
The IUPAC name of N-[4-(5,7-dimethyl-2-oxo-4-phenylchromen-6-yl)phenyl]acetamide (CID 6540216) is N-[4-(5,7-dimethyl-2-oxo-4-phenylchromen-6-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(5,7-dimethyl-2-oxo-4-phenylchromen-6-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(5,7-dimethyl-2-oxo-4-phenylchromen-6-yl)phenyl]acetamide is CC(=O)Nc1ccc(-c2c(C)cc3oc(=O)cc(-c4ccccc4)c3c2C)cc1.
What is the InChIKey of N-[4-(5,7-dimethyl-2-oxo-4-phenylchromen-6-yl)phenyl]acetamide?
The InChIKey is KSFULINLCSKFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO3/c1-15-13-22-25(21(14-23(28)29-22)18-7-5-4-6-8-18)16(2)24(15)19-9-11-20(12-10-19)26-17(3)27/h4-14H,1-3H3,(H,26,27).
What are the key properties of N-[4-(5,7-dimethyl-2-oxo-4-phenylchromen-6-yl)phenyl]acetamide?
N-[4-(5,7-dimethyl-2-oxo-4-phenylchromen-6-yl)phenyl]acetamide has a molecular weight of 383.45 g/mol, XLogP of 5.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5,7-dimethyl-2-oxo-4-phenylchromen-6-yl)phenyl]acetamide is sourced from PubChem (CID 6540216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).