2-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-N-(2-methoxy-5-methylphenyl)-4,4-dimethyl-3-oxopentanamide

C21H29N3O5 — CID 54465434

IUPAC2-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-N-(2-methoxy-5-methylphenyl)-4,4-dimethyl-3-oxopentanamide
SMILESCOc1ccc(C)cc1NC(=O)C(CN1C(=O)NC(C)(C)C1=O)C(=O)C(C)(C)C
InChIInChI=1S/C21H29N3O5/c1-12-8-9-15(29-7)14(10-12)22-17(26)13(16(25)20(2,3)4)11-24-18(27)21(5,6)23-19(24)28/h8-10,13H,11H2,1-7H3,(H,22,26)(H,23,28)
InChIKeyXEMOISMNWPLBCN-UHFFFAOYSA-N
MW403.48 g/mol
LogP2.50
Rot. Bonds6

About 2-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-N-(2-methoxy-5-methylphenyl)-4,4-dimethyl-3-oxopentanamide

2-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-N-(2-methoxy-5-methylphenyl)-4,4-dimethyl-3-oxopentanamide (PubChem CID 54465434) has the molecular formula C21H29N3O5 and a molecular weight of 403.48 g/mol. Its IUPAC name is 2-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-N-(2-methoxy-5-methylphenyl)-4,4-dimethyl-3-oxopentanamide.

Molecular Properties

Compound Name2-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-N-(2-methoxy-5-methylphenyl)-4,4-dimethyl-3-oxopentanamide
PubChem CID54465434
Molecular FormulaC21H29N3O5
Molecular Weight403.48 g/mol
Exact Mass403.21
IUPAC Name2-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-N-(2-methoxy-5-methylphenyl)-4,4-dimethyl-3-oxopentanamide
SMILESCOc1ccc(C)cc1NC(=O)C(CN1C(=O)NC(C)(C)C1=O)C(=O)C(C)(C)C
InChIInChI=1S/C21H29N3O5/c1-12-8-9-15(29-7)14(10-12)22-17(26)13(16(25)20(2,3)4)11-24-18(27)21(5,6)23-19(24)28/h8-10,13H,11H2,1-7H3,(H,22,26)(H,23,28)
InChIKeyXEMOISMNWPLBCN-UHFFFAOYSA-N
XLogP2.50
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methoxy-5-methylphenyl)-3-oxobutanamide;sulfur dioxide
CID 90922254
[(2R)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 8957793
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide
CID 61149030
N-(2-methoxy-5-methylphenyl)-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2579596
[1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 46786760
2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 17450041
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)propanamide
CID 22690513
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[5-(hexadecoxysulfinylamino)-2-methoxyphenyl]-4,4-dimethyl-3-oxopentanamide
CID 54193568
N-(2-methoxy-5-methylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl]acetamide
CID 52507734
1-(2-methoxy-5-methylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 6467864
(2R)-2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
CID 26539879
2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
CID 24511206

Frequently Asked Questions

What is the IUPAC name of 2-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-N-(2-methoxy-5-methylphenyl)-4,4-dimethyl-3-oxopentanamide?
The IUPAC name of 2-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-N-(2-methoxy-5-methylphenyl)-4,4-dimethyl-3-oxopentanamide (CID 54465434) is 2-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-N-(2-methoxy-5-methylphenyl)-4,4-dimethyl-3-oxopentanamide.
What is the SMILES notation for 2-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-N-(2-methoxy-5-methylphenyl)-4,4-dimethyl-3-oxopentanamide?
The canonical SMILES for 2-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-N-(2-methoxy-5-methylphenyl)-4,4-dimethyl-3-oxopentanamide is COc1ccc(C)cc1NC(=O)C(CN1C(=O)NC(C)(C)C1=O)C(=O)C(C)(C)C.
What is the InChIKey of 2-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-N-(2-methoxy-5-methylphenyl)-4,4-dimethyl-3-oxopentanamide?
The InChIKey is XEMOISMNWPLBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O5/c1-12-8-9-15(29-7)14(10-12)22-17(26)13(16(25)20(2,3)4)11-24-18(27)21(5,6)23-19(24)28/h8-10,13H,11H2,1-7H3,(H,22,26)(H,23,28).
What are the key properties of 2-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-N-(2-methoxy-5-methylphenyl)-4,4-dimethyl-3-oxopentanamide?
2-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-N-(2-methoxy-5-methylphenyl)-4,4-dimethyl-3-oxopentanamide has a molecular weight of 403.48 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-N-(2-methoxy-5-methylphenyl)-4,4-dimethyl-3-oxopentanamide is sourced from PubChem (CID 54465434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).