2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide

C17H22N4O4 — CID 2581674

IUPAC2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O
InChIInChI=1S/C17H22N4O4/c1-4-9-18-15(24)19-13(22)10-21-14(23)17(3,20-16(21)25)12-7-5-11(2)6-8-12/h5-8H,4,9-10H2,1-3H3,(H,20,25)(H2,18,19,22,24)/t17-/m0/s1
InChIKeyIJHOIFRDWRHCOQ-KRWDZBQOSA-N
MW346.39 g/mol
LogP1.00
Rot. Bonds5

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

2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide (PubChem CID 2581674) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide
PubChem CID2581674
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Name2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O
InChIInChI=1S/C17H22N4O4/c1-4-9-18-15(24)19-13(22)10-21-14(23)17(3,20-16(21)25)12-7-5-11(2)6-8-12/h5-8H,4,9-10H2,1-3H3,(H,20,25)(H2,18,19,22,24)/t17-/m0/s1
InChIKeyIJHOIFRDWRHCOQ-KRWDZBQOSA-N
XLogP1.00
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 51.00
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-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 42964323
2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 2581668
2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-pentylacetamide
CID 40748614
2-[(4S)-4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide
CID 94814614
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(ethylcarbamoyl)acetamide
CID 2633579
2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)-N-(propylcarbamoyl)acetamide
CID 18777504
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 7710133
2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-pentan-2-yl]acetamide
CID 2581518
N-(3-ethoxypropyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 42987313
N-[2-(methylamino)propyl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 120831423
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 2647880
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 51334227

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide (CID 2581674) is 2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O.
What is the InChIKey of 2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide?
The InChIKey is IJHOIFRDWRHCOQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-4-9-18-15(24)19-13(22)10-21-14(23)17(3,20-16(21)25)12-7-5-11(2)6-8-12/h5-8H,4,9-10H2,1-3H3,(H,20,25)(H2,18,19,22,24)/t17-/m0/s1.
What are the key properties of 2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide?
2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide has a molecular weight of 346.39 g/mol, XLogP of 1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 2581674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).