N-benzyl-N-methyl-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide

C25H21NO4 — CID 2421773

IUPACN-benzyl-N-methyl-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
SMILESCN(Cc1ccccc1)C(=O)COc1ccc2c(=O)c(-c3ccccc3)coc2c1
InChIInChI=1S/C25H21NO4/c1-26(15-18-8-4-2-5-9-18)24(27)17-29-20-12-13-21-23(14-20)30-16-22(25(21)28)19-10-6-3-7-11-19/h2-14,16H,15,17H2,1H3
InChIKeyVGDQZOPPERGSJH-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.50
Rot. Bonds6

About N-benzyl-N-methyl-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide

N-benzyl-N-methyl-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide (PubChem CID 2421773) has the molecular formula C25H21NO4 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
PubChem CID2421773
Molecular FormulaC25H21NO4
Molecular Weight399.45 g/mol
Exact Mass399.15
IUPAC NameN-benzyl-N-methyl-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
SMILESCN(Cc1ccccc1)C(=O)COc1ccc2c(=O)c(-c3ccccc3)coc2c1
InChIInChI=1S/C25H21NO4/c1-26(15-18-8-4-2-5-9-18)24(27)17-29-20-12-13-21-23(14-20)30-16-22(25(21)28)19-10-6-3-7-11-19/h2-14,16H,15,17H2,1H3
InChIKeyVGDQZOPPERGSJH-UHFFFAOYSA-N
XLogP4.50
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-oxo-3-phenylchromen-7-yl)oxyacetic acid
CID 15122627
3-phenyl-7-(2-phenylethoxy)chromen-4-one
CID 23878926
(4-oxo-3-phenylchromen-7-yl) 2-phenoxyacetate
CID 8913011
(4-oxo-3-phenylchromen-7-yl) 2-(3-methylphenoxy)acetate
CID 8913102
N-cyclopropyl-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 7641759
(4-oxo-3-phenylchromen-7-yl) 2-methoxyacetate
CID 23965769
7-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-3-phenylchromen-4-one
CID 41091483
2-(4-oxo-3-phenylchromen-7-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide
CID 7641806
N-(1-hydroxy-3-methylbutan-2-yl)-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 45371498
7-(1-hydroxypropan-2-yloxy)-3-phenylchromen-4-one
CID 101159250
N-cyclopentyl-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 7641790
7-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one
CID 7641848

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide?
The IUPAC name of N-benzyl-N-methyl-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide (CID 2421773) is N-benzyl-N-methyl-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide.
What is the SMILES notation for N-benzyl-N-methyl-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide?
The canonical SMILES for N-benzyl-N-methyl-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide is CN(Cc1ccccc1)C(=O)COc1ccc2c(=O)c(-c3ccccc3)coc2c1.
What is the InChIKey of N-benzyl-N-methyl-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide?
The InChIKey is VGDQZOPPERGSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO4/c1-26(15-18-8-4-2-5-9-18)24(27)17-29-20-12-13-21-23(14-20)30-16-22(25(21)28)19-10-6-3-7-11-19/h2-14,16H,15,17H2,1H3.
What are the key properties of N-benzyl-N-methyl-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide?
N-benzyl-N-methyl-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide has a molecular weight of 399.45 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide is sourced from PubChem (CID 2421773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).