2,2-dimethyl-N-[3-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]phenyl]propanamide

C27H28N4O4 — CID 24657513

IUPAC2,2-dimethyl-N-[3-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1cccc(NC(=O)CN2C(=O)NC(C)(c3ccc4ccccc4c3)C2=O)c1
InChIInChI=1S/C27H28N4O4/c1-26(2,3)23(33)29-21-11-7-10-20(15-21)28-22(32)16-31-24(34)27(4,30-25(31)35)19-13-12-17-8-5-6-9-18(17)14-19/h5-15H,16H2,1-4H3,(H,28,32)(H,29,33)(H,30,35)
InChIKeyABTHNMZRSFNOBG-UHFFFAOYSA-N
MW472.55 g/mol
LogP4.23
Rot. Bonds5

About 2,2-dimethyl-N-[3-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]phenyl]propanamide

2,2-dimethyl-N-[3-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]phenyl]propanamide (PubChem CID 24657513) has the molecular formula C27H28N4O4 and a molecular weight of 472.55 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]phenyl]propanamide
PubChem CID24657513
Molecular FormulaC27H28N4O4
Molecular Weight472.55 g/mol
Exact Mass472.21
IUPAC Name2,2-dimethyl-N-[3-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1cccc(NC(=O)CN2C(=O)NC(C)(c3ccc4ccccc4c3)C2=O)c1
InChIInChI=1S/C27H28N4O4/c1-26(2,3)23(33)29-21-11-7-10-20(15-21)28-22(32)16-31-24(34)27(4,30-25(31)35)19-13-12-17-8-5-6-9-18(17)14-19/h5-15H,16H2,1-4H3,(H,28,32)(H,29,33)(H,30,35)
InChIKeyABTHNMZRSFNOBG-UHFFFAOYSA-N
XLogP4.23
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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]-N-(3-propan-2-ylphenyl)acetamide
CID 9246846
2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2459874
2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-naphthalen-2-ylacetamide
CID 2580694
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
N-(5-tert-butyl-2-methoxyphenyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 16546410
N-[4-(dimethylsulfamoyl)phenyl]-2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2107483
methyl 2-methyl-2-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoate
CID 55600305
methyl 2-[[4-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoyl]amino]acetate
CID 55396903
2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2371043
N-[3-(carbamoylamino)phenyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55539585
2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide
CID 92786967

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[3-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]phenyl]propanamide (CID 24657513) is 2,2-dimethyl-N-[3-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[3-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]phenyl]propanamide is CC(C)(C)C(=O)Nc1cccc(NC(=O)CN2C(=O)NC(C)(c3ccc4ccccc4c3)C2=O)c1.
What is the InChIKey of 2,2-dimethyl-N-[3-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]phenyl]propanamide?
The InChIKey is ABTHNMZRSFNOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O4/c1-26(2,3)23(33)29-21-11-7-10-20(15-21)28-22(32)16-31-24(34)27(4,30-25(31)35)19-13-12-17-8-5-6-9-18(17)14-19/h5-15H,16H2,1-4H3,(H,28,32)(H,29,33)(H,30,35).
What are the key properties of 2,2-dimethyl-N-[3-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]phenyl]propanamide?
2,2-dimethyl-N-[3-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]phenyl]propanamide has a molecular weight of 472.55 g/mol, XLogP of 4.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]phenyl]propanamide is sourced from PubChem (CID 24657513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).