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

C16H21N3O3 — CID 42964323

IUPAC2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1C(=O)NC(C)(c2ccc(C)cc2)C1=O
InChIInChI=1S/C16H21N3O3/c1-4-9-17-13(20)10-19-14(21)16(3,18-15(19)22)12-7-5-11(2)6-8-12/h5-8H,4,9-10H2,1-3H3,(H,17,20)(H,18,22)
InChIKeyNPGUERFFGXYNAE-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.29
Rot. Bonds5

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

2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide (PubChem CID 42964323) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
PubChem CID42964323
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1C(=O)NC(C)(c2ccc(C)cc2)C1=O
InChIInChI=1S/C16H21N3O3/c1-4-9-17-13(20)10-19-14(21)16(3,18-15(19)22)12-7-5-11(2)6-8-12/h5-8H,4,9-10H2,1-3H3,(H,17,20)(H,18,22)
InChIKeyNPGUERFFGXYNAE-UHFFFAOYSA-N
XLogP1.29
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-pentylacetamide
CID 40748614
2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide
CID 2581674
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-[(2S)-pentan-2-yl]acetamide
CID 2581518
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentylacetamide
CID 40747967
N-[2-(methylamino)propyl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 120831423
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 51334227
N-[[4-(dimethylamino)phenyl]methyl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51207809
2-[(4R)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 7595226
N-(4-fluorophenyl)-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2581954
(2R)-2-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoic acid
CID 119370203
2-[4-(5-bromothiophen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 51135440

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide (CID 42964323) is 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide is CCCNC(=O)CN1C(=O)NC(C)(c2ccc(C)cc2)C1=O.
What is the InChIKey of 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide?
The InChIKey is NPGUERFFGXYNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-4-9-17-13(20)10-19-14(21)16(3,18-15(19)22)12-7-5-11(2)6-8-12/h5-8H,4,9-10H2,1-3H3,(H,17,20)(H,18,22).
What are the key properties of 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide?
2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide has a molecular weight of 303.36 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide is sourced from PubChem (CID 42964323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).