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

C25H25N3O4 — CID 42964333

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCOc1ccc(CCNC(=O)CN2C(=O)NC(C)(c3cccc4ccccc34)C2=O)cc1
InChIInChI=1S/C25H25N3O4/c1-25(21-9-5-7-18-6-3-4-8-20(18)21)23(30)28(24(31)27-25)16-22(29)26-15-14-17-10-12-19(32-2)13-11-17/h3-13H,14-16H2,1-2H3,(H,26,29)(H,27,31)
InChIKeyXMEAZLKSMMNHTI-UHFFFAOYSA-N
MW431.49 g/mol
LogP2.97
Rot. Bonds7

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

N-[2-(4-methoxyphenyl)ethyl]-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 42964333) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID42964333
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCOc1ccc(CCNC(=O)CN2C(=O)NC(C)(c3cccc4ccccc34)C2=O)cc1
InChIInChI=1S/C25H25N3O4/c1-25(21-9-5-7-18-6-3-4-8-20(18)21)23(30)28(24(31)27-25)16-22(29)26-15-14-17-10-12-19(32-2)13-11-17/h3-13H,14-16H2,1-2H3,(H,26,29)(H,27,31)
InChIKeyXMEAZLKSMMNHTI-UHFFFAOYSA-N
XLogP2.97
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-methoxyphenyl)methyl]-2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7242813
2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 2098354
2-[(4R)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 92785314
N-(3-ethoxypropyl)-2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40781881
2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 8507184
N-[2-(4-chlorophenyl)ethyl]-2-[4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 3945063
2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)-N-(propylcarbamoyl)acetamide
CID 18777504
N-[(3-chlorophenyl)methyl]-2-[(4S)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41079981
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 92509756
N-(cyclohexylmethyl)-2-[(4S)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7044068
N-[(4-methoxyphenyl)methyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 2482252
2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 2703067

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide (CID 42964333) is N-[2-(4-methoxyphenyl)ethyl]-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide is COc1ccc(CCNC(=O)CN2C(=O)NC(C)(c3cccc4ccccc34)C2=O)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is XMEAZLKSMMNHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-25(21-9-5-7-18-6-3-4-8-20(18)21)23(30)28(24(31)27-25)16-22(29)26-15-14-17-10-12-19(32-2)13-11-17/h3-13H,14-16H2,1-2H3,(H,26,29)(H,27,31).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide?
N-[2-(4-methoxyphenyl)ethyl]-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 431.49 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 42964333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).