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

C21H26N4O3 — CID 51595046

IUPAC2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-1-propylindol-5-yl)acetamide
SMILESCCCn1c(C)cc2cc(NC(=O)CN3C(=O)N[C@@](C)(C4CC4)C3=O)ccc21
InChIInChI=1S/C21H26N4O3/c1-4-9-24-13(2)10-14-11-16(7-8-17(14)24)22-18(26)12-25-19(27)21(3,15-5-6-15)23-20(25)28/h7-8,10-11,15H,4-6,9,12H2,1-3H3,(H,22,26)(H,23,28)/t21-/m0/s1
InChIKeyAQUDBKMYTZLFNX-NRFANRHFSA-N
MW382.46 g/mol
LogP3.02
Rot. Bonds6

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

2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-1-propylindol-5-yl)acetamide (PubChem CID 51595046) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-1-propylindol-5-yl)acetamide.

Molecular Properties

Compound Name2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-1-propylindol-5-yl)acetamide
PubChem CID51595046
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-1-propylindol-5-yl)acetamide
SMILESCCCn1c(C)cc2cc(NC(=O)CN3C(=O)N[C@@](C)(C4CC4)C3=O)ccc21
InChIInChI=1S/C21H26N4O3/c1-4-9-24-13(2)10-14-11-16(7-8-17(14)24)22-18(26)12-25-19(27)21(3,15-5-6-15)23-20(25)28/h7-8,10-11,15H,4-6,9,12H2,1-3H3,(H,22,26)(H,23,28)/t21-/m0/s1
InChIKeyAQUDBKMYTZLFNX-NRFANRHFSA-N
XLogP3.02
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1-methylbenzotriazol-5-yl)acetamide
CID 136549427
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1-propylbenzimidazol-2-yl)acetamide
CID 40954141
2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 41089149
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 30932708
2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-thiophen-3-ylacetamide
CID 97021772
methyl 3-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoate
CID 16557283
N-(4-amino-3,5-dichlorophenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 46665102
N-(4-tert-butylphenyl)-2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7619141
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide
CID 78838035
N-(4-bromo-3-pyrrolidin-1-ylsulfonylphenyl)-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 155560182
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 16557047
methyl 4-[[2-[(4S)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzoate
CID 7619230

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-1-propylindol-5-yl)acetamide?
The IUPAC name of 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-1-propylindol-5-yl)acetamide (CID 51595046) is 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-1-propylindol-5-yl)acetamide.
What is the SMILES notation for 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-1-propylindol-5-yl)acetamide?
The canonical SMILES for 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-1-propylindol-5-yl)acetamide is CCCn1c(C)cc2cc(NC(=O)CN3C(=O)N[C@@](C)(C4CC4)C3=O)ccc21.
What is the InChIKey of 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-1-propylindol-5-yl)acetamide?
The InChIKey is AQUDBKMYTZLFNX-NRFANRHFSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-4-9-24-13(2)10-14-11-16(7-8-17(14)24)22-18(26)12-25-19(27)21(3,15-5-6-15)23-20(25)28/h7-8,10-11,15H,4-6,9,12H2,1-3H3,(H,22,26)(H,23,28)/t21-/m0/s1.
What are the key properties of 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-1-propylindol-5-yl)acetamide?
2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-1-propylindol-5-yl)acetamide has a molecular weight of 382.46 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-1-propylindol-5-yl)acetamide is sourced from PubChem (CID 51595046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).