2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-pentylacetamide

C18H25N3O3 — CID 40748614

IUPAC2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-pentylacetamide
SMILESCCCCCNC(=O)CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O
InChIInChI=1S/C18H25N3O3/c1-4-5-6-11-19-15(22)12-21-16(23)18(3,20-17(21)24)14-9-7-13(2)8-10-14/h7-10H,4-6,11-12H2,1-3H3,(H,19,22)(H,20,24)/t18-/m1/s1
InChIKeyWYMVQPYWIGERFC-GOSISDBHSA-N
MW331.42 g/mol
LogP2.07
Rot. Bonds7

About 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-pentylacetamide

2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-pentylacetamide (PubChem CID 40748614) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-pentylacetamide.

Molecular Properties

Compound Name2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-pentylacetamide
PubChem CID40748614
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-pentylacetamide
SMILESCCCCCNC(=O)CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O
InChIInChI=1S/C18H25N3O3/c1-4-5-6-11-19-15(22)12-21-16(23)18(3,20-17(21)24)14-9-7-13(2)8-10-14/h7-10H,4-6,11-12H2,1-3H3,(H,19,22)(H,20,24)/t18-/m1/s1
InChIKeyWYMVQPYWIGERFC-GOSISDBHSA-N
XLogP2.07
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 42964323
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentylacetamide
CID 40747967
N-(3-ethoxypropyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 42987313
2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide
CID 2581674
2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-pentan-2-yl]acetamide
CID 2581518
2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-pentylphenyl)acetamide
CID 43007214
N-[2-(methylamino)propyl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 120831423
N-(3-indol-1-ylpropyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55378394
2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)-N-pentylacetamide
CID 51288708
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 51334227
N-butyl-2-[(4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7962151
2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-butylacetamide
CID 7691962

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-pentylacetamide?
The IUPAC name of 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-pentylacetamide (CID 40748614) is 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-pentylacetamide.
What is the SMILES notation for 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-pentylacetamide?
The canonical SMILES for 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-pentylacetamide is CCCCCNC(=O)CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O.
What is the InChIKey of 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-pentylacetamide?
The InChIKey is WYMVQPYWIGERFC-GOSISDBHSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-4-5-6-11-19-15(22)12-21-16(23)18(3,20-17(21)24)14-9-7-13(2)8-10-14/h7-10H,4-6,11-12H2,1-3H3,(H,19,22)(H,20,24)/t18-/m1/s1.
What are the key properties of 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-pentylacetamide?
2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-pentylacetamide has a molecular weight of 331.42 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-pentylacetamide is sourced from PubChem (CID 40748614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).