N-[4-[(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)methyl]-2-oxochromen-7-yl]acetamide

C26H21N3O5 — CID 42972075

IUPACN-[4-[(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)methyl]-2-oxochromen-7-yl]acetamide
SMILESCC(=O)Nc1ccc2c(CN3C(=O)NC(C)(c4cccc5ccccc45)C3=O)cc(=O)oc2c1
InChIInChI=1S/C26H21N3O5/c1-15(30)27-18-10-11-20-17(12-23(31)34-22(20)13-18)14-29-24(32)26(2,28-25(29)33)21-9-5-7-16-6-3-4-8-19(16)21/h3-13H,14H2,1-2H3,(H,27,30)(H,28,33)
InChIKeyJDHQWTATDIUBGY-UHFFFAOYSA-N
MW455.47 g/mol
LogP3.87
Rot. Bonds4

About N-[4-[(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)methyl]-2-oxochromen-7-yl]acetamide

N-[4-[(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)methyl]-2-oxochromen-7-yl]acetamide (PubChem CID 42972075) has the molecular formula C26H21N3O5 and a molecular weight of 455.47 g/mol. Its IUPAC name is N-[4-[(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)methyl]-2-oxochromen-7-yl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)methyl]-2-oxochromen-7-yl]acetamide
PubChem CID42972075
Molecular FormulaC26H21N3O5
Molecular Weight455.47 g/mol
Exact Mass455.15
IUPAC NameN-[4-[(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)methyl]-2-oxochromen-7-yl]acetamide
SMILESCC(=O)Nc1ccc2c(CN3C(=O)NC(C)(c4cccc5ccccc45)C3=O)cc(=O)oc2c1
InChIInChI=1S/C26H21N3O5/c1-15(30)27-18-10-11-20-17(12-23(31)34-22(20)13-18)14-29-24(32)26(2,28-25(29)33)21-9-5-7-16-6-3-4-8-19(16)21/h3-13H,14H2,1-2H3,(H,27,30)(H,28,33)
InChIKeyJDHQWTATDIUBGY-UHFFFAOYSA-N
XLogP3.87
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.47
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(2-bromophenyl)-5-methyl-3-[(7-methyl-2-oxochromen-4-yl)methyl]imidazolidine-2,4-dione
CID 4019911
N-[2-oxo-4-[(4-oxoquinazolin-3-yl)methyl]chromen-7-yl]acetamide
CID 51195257
(5R)-3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 7242212
N-(3-acetylphenyl)-2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180056
(5R)-3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 7242252
(5S)-3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 7242253
(5S)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 7180024
N-(3-chlorophenyl)-2-[(4S)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7242878
N-[4-[(3-butyl-2,4,5-trioxoimidazolidin-1-yl)methyl]-2-oxochromen-7-yl]acetamide
CID 2570750
(5S)-3-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 40789411
3-ethyl-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 42915150
5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 78766969

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)methyl]-2-oxochromen-7-yl]acetamide?
The IUPAC name of N-[4-[(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)methyl]-2-oxochromen-7-yl]acetamide (CID 42972075) is N-[4-[(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)methyl]-2-oxochromen-7-yl]acetamide.
What is the SMILES notation for N-[4-[(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)methyl]-2-oxochromen-7-yl]acetamide?
The canonical SMILES for N-[4-[(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)methyl]-2-oxochromen-7-yl]acetamide is CC(=O)Nc1ccc2c(CN3C(=O)NC(C)(c4cccc5ccccc45)C3=O)cc(=O)oc2c1.
What is the InChIKey of N-[4-[(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)methyl]-2-oxochromen-7-yl]acetamide?
The InChIKey is JDHQWTATDIUBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O5/c1-15(30)27-18-10-11-20-17(12-23(31)34-22(20)13-18)14-29-24(32)26(2,28-25(29)33)21-9-5-7-16-6-3-4-8-19(16)21/h3-13H,14H2,1-2H3,(H,27,30)(H,28,33).
What are the key properties of N-[4-[(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)methyl]-2-oxochromen-7-yl]acetamide?
N-[4-[(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)methyl]-2-oxochromen-7-yl]acetamide has a molecular weight of 455.47 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)methyl]-2-oxochromen-7-yl]acetamide is sourced from PubChem (CID 42972075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).