N-(3-ethoxypropyl)-2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetamide

C21H25N3O4 — CID 40781881

IUPACN-(3-ethoxypropyl)-2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCCOCCCNC(=O)CN1C(=O)N[C@](C)(c2cccc3ccccc23)C1=O
InChIInChI=1S/C21H25N3O4/c1-3-28-13-7-12-22-18(25)14-24-19(26)21(2,23-20(24)27)17-11-6-9-15-8-4-5-10-16(15)17/h4-6,8-11H,3,7,12-14H2,1-2H3,(H,22,25)(H,23,27)/t21-/m1/s1
InChIKeyYYAYJNOKKSBJKG-OAQYLSRUSA-N
MW383.45 g/mol
LogP2.15
Rot. Bonds8

About N-(3-ethoxypropyl)-2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetamide

N-(3-ethoxypropyl)-2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 40781881) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID40781881
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-(3-ethoxypropyl)-2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCCOCCCNC(=O)CN1C(=O)N[C@](C)(c2cccc3ccccc23)C1=O
InChIInChI=1S/C21H25N3O4/c1-3-28-13-7-12-22-18(25)14-24-19(26)21(2,23-20(24)27)17-11-6-9-15-8-4-5-10-16(15)17/h4-6,8-11H,3,7,12-14H2,1-2H3,(H,22,25)(H,23,27)/t21-/m1/s1
InChIKeyYYAYJNOKKSBJKG-OAQYLSRUSA-N
XLogP2.15
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxypropyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 42987313
N-[2-(4-methoxyphenyl)ethyl]-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 42964333
N-(cyclohexylmethyl)-2-[(4S)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7044068
2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)-N-(propylcarbamoyl)acetamide
CID 18777504
N-butan-2-yl-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 4790385
N-[(3-methoxyphenyl)methyl]-2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7242813
N-[(3-chlorophenyl)methyl]-2-[(4S)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41079981
N-(2,6-dimethylphenyl)-2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7242865
N-(2-chlorophenyl)-2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180066
3-ethyl-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 42915150
5-methyl-3-(2-methylprop-2-enyl)-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 17405528
2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 2704464

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(3-ethoxypropyl)-2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 40781881) is N-(3-ethoxypropyl)-2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetamide is CCOCCCNC(=O)CN1C(=O)N[C@](C)(c2cccc3ccccc23)C1=O.
What is the InChIKey of N-(3-ethoxypropyl)-2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is YYAYJNOKKSBJKG-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-3-28-13-7-12-22-18(25)14-24-19(26)21(2,23-20(24)27)17-11-6-9-15-8-4-5-10-16(15)17/h4-6,8-11H,3,7,12-14H2,1-2H3,(H,22,25)(H,23,27)/t21-/m1/s1.
What are the key properties of N-(3-ethoxypropyl)-2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(3-ethoxypropyl)-2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 383.45 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 40781881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).