N-[3-(6-benzoyl-2,2-dimethylchromen-4-yl)phenyl]acetamide

C26H23NO3 — CID 10572896

IUPACN-[3-(6-benzoyl-2,2-dimethylchromen-4-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2=CC(C)(C)Oc3ccc(C(=O)c4ccccc4)cc32)c1
InChIInChI=1S/C26H23NO3/c1-17(28)27-21-11-7-10-19(14-21)23-16-26(2,3)30-24-13-12-20(15-22(23)24)25(29)18-8-5-4-6-9-18/h4-16H,1-3H3,(H,27,28)
InChIKeyGYOXVAJYMMGUPQ-UHFFFAOYSA-N
MW397.47 g/mol
LogP5.48
Rot. Bonds4

About N-[3-(6-benzoyl-2,2-dimethylchromen-4-yl)phenyl]acetamide

N-[3-(6-benzoyl-2,2-dimethylchromen-4-yl)phenyl]acetamide (PubChem CID 10572896) has the molecular formula C26H23NO3 and a molecular weight of 397.47 g/mol. Its IUPAC name is N-[3-(6-benzoyl-2,2-dimethylchromen-4-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(6-benzoyl-2,2-dimethylchromen-4-yl)phenyl]acetamide
PubChem CID10572896
Molecular FormulaC26H23NO3
Molecular Weight397.47 g/mol
Exact Mass397.17
IUPAC NameN-[3-(6-benzoyl-2,2-dimethylchromen-4-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2=CC(C)(C)Oc3ccc(C(=O)c4ccccc4)cc32)c1
InChIInChI=1S/C26H23NO3/c1-17(28)27-21-11-7-10-19(14-21)23-16-26(2,3)30-24-13-12-20(15-22(23)24)25(29)18-8-5-4-6-9-18/h4-16H,1-3H3,(H,27,28)
InChIKeyGYOXVAJYMMGUPQ-UHFFFAOYSA-N
XLogP5.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.47
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-hydroxyphenyl)-2,2-dimethylchromene-6-carboxylic acid
CID 58406905
N-(3-benzoyl-5-phenylphenyl)acetamide
CID 59842795
methyl 4-(2,6-difluorophenyl)-2,2-dimethylchromene-6-carboxylate
CID 58406516
4-benzoyl-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)benzamide
CID 1327317
N-[4-(3-bromobenzoyl)phenyl]acetamide
CID 43337929
2,2-dimethyl-4-(2,3,4-trifluorophenyl)chromene-6-carboxylic acid
CID 58407323
N'-(3-acetamidophenyl)-N-phenyloxamide
CID 45001278
(E)-4-(3-benzoylanilino)pent-3-en-2-one
CID 5394267
[3-(4-phenylbenzoyl)phenyl]-(4-phenylphenyl)methanone
CID 19009361
4-(3-acetamidophenyl)-3-fluorobenzoic acid
CID 53227028
methyl 2,2-dimethyl-4-(2,4,5-trifluorophenyl)chromene-6-carboxylate
CID 58406737
acetyl bromide;N-phenylacetamide
CID 175285562

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-benzoyl-2,2-dimethylchromen-4-yl)phenyl]acetamide?
The IUPAC name of N-[3-(6-benzoyl-2,2-dimethylchromen-4-yl)phenyl]acetamide (CID 10572896) is N-[3-(6-benzoyl-2,2-dimethylchromen-4-yl)phenyl]acetamide.
What is the SMILES notation for N-[3-(6-benzoyl-2,2-dimethylchromen-4-yl)phenyl]acetamide?
The canonical SMILES for N-[3-(6-benzoyl-2,2-dimethylchromen-4-yl)phenyl]acetamide is CC(=O)Nc1cccc(C2=CC(C)(C)Oc3ccc(C(=O)c4ccccc4)cc32)c1.
What is the InChIKey of N-[3-(6-benzoyl-2,2-dimethylchromen-4-yl)phenyl]acetamide?
The InChIKey is GYOXVAJYMMGUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO3/c1-17(28)27-21-11-7-10-19(14-21)23-16-26(2,3)30-24-13-12-20(15-22(23)24)25(29)18-8-5-4-6-9-18/h4-16H,1-3H3,(H,27,28).
What are the key properties of N-[3-(6-benzoyl-2,2-dimethylchromen-4-yl)phenyl]acetamide?
N-[3-(6-benzoyl-2,2-dimethylchromen-4-yl)phenyl]acetamide has a molecular weight of 397.47 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-benzoyl-2,2-dimethylchromen-4-yl)phenyl]acetamide is sourced from PubChem (CID 10572896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).