methyl 2-methyl-2-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoate

C21H23N3O5 — CID 55600305

IUPACmethyl 2-methyl-2-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoate
SMILESCOC(=O)C(C)(C)NC(=O)CN1C(=O)NC(C)(c2ccc3ccccc3c2)C1=O
InChIInChI=1S/C21H23N3O5/c1-20(2,18(27)29-4)22-16(25)12-24-17(26)21(3,23-19(24)28)15-10-9-13-7-5-6-8-14(13)11-15/h5-11H,12H2,1-4H3,(H,22,25)(H,23,28)
InChIKeyMZJVPZXYLKCJMD-UHFFFAOYSA-N
MW397.43 g/mol
LogP1.67
Rot. Bonds5

About methyl 2-methyl-2-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoate

methyl 2-methyl-2-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoate (PubChem CID 55600305) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is methyl 2-methyl-2-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoate
PubChem CID55600305
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC Namemethyl 2-methyl-2-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoate
SMILESCOC(=O)C(C)(C)NC(=O)CN1C(=O)NC(C)(c2ccc3ccccc3c2)C1=O
InChIInChI=1S/C21H23N3O5/c1-20(2,18(27)29-4)22-16(25)12-24-17(26)21(3,23-19(24)28)15-10-9-13-7-5-6-8-14(13)11-15/h5-11H,12H2,1-4H3,(H,22,25)(H,23,28)
InChIKeyMZJVPZXYLKCJMD-UHFFFAOYSA-N
XLogP1.67
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2371043
N-(5-tert-butyl-2-methoxyphenyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 16546410
2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-(2-methylpropyl)acetamide
CID 51446549
3,5-dimethoxy-N'-[2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetyl]benzohydrazide
CID 40943642
2,2-dimethyl-N-[3-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]phenyl]propanamide
CID 24657513
2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide
CID 41183201
2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-(4-phenoxyphenyl)acetamide
CID 25436664
2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2459874
methyl (2S)-3-ethyl-2-[[2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]pentanoate
CID 95781047
N-[(2R)-5-methylhexan-2-yl]-2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40748919
N-[(4-fluorophenyl)methyl]-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 16546321
N-cyclopentyl-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 24537305

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoate?
The IUPAC name of methyl 2-methyl-2-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoate (CID 55600305) is methyl 2-methyl-2-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoate.
What is the SMILES notation for methyl 2-methyl-2-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoate?
The canonical SMILES for methyl 2-methyl-2-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoate is COC(=O)C(C)(C)NC(=O)CN1C(=O)NC(C)(c2ccc3ccccc3c2)C1=O.
What is the InChIKey of methyl 2-methyl-2-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoate?
The InChIKey is MZJVPZXYLKCJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-20(2,18(27)29-4)22-16(25)12-24-17(26)21(3,23-19(24)28)15-10-9-13-7-5-6-8-14(13)11-15/h5-11H,12H2,1-4H3,(H,22,25)(H,23,28).
What are the key properties of methyl 2-methyl-2-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoate?
methyl 2-methyl-2-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoate has a molecular weight of 397.43 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoate is sourced from PubChem (CID 55600305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).