N-(cyclopentylcarbamoyl)-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide

C17H28N4O4 — CID 41037231

IUPACN-(cyclopentylcarbamoyl)-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC(C)CC[C@]1(C)NC(=O)N(CC(=O)NC(=O)NC2CCCC2)C1=O
InChIInChI=1S/C17H28N4O4/c1-11(2)8-9-17(3)14(23)21(16(25)20-17)10-13(22)19-15(24)18-12-6-4-5-7-12/h11-12H,4-10H2,1-3H3,(H,20,25)(H2,18,19,22,24)/t17-/m0/s1
InChIKeyDKEZVAOETDSKMN-KRWDZBQOSA-N
MW352.44 g/mol
LogP1.50
Rot. Bonds6

About N-(cyclopentylcarbamoyl)-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide

N-(cyclopentylcarbamoyl)-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 41037231) has the molecular formula C17H28N4O4 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-(cyclopentylcarbamoyl)-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(cyclopentylcarbamoyl)-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID41037231
Molecular FormulaC17H28N4O4
Molecular Weight352.44 g/mol
Exact Mass352.21
IUPAC NameN-(cyclopentylcarbamoyl)-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC(C)CC[C@]1(C)NC(=O)N(CC(=O)NC(=O)NC2CCCC2)C1=O
InChIInChI=1S/C17H28N4O4/c1-11(2)8-9-17(3)14(23)21(16(25)20-17)10-13(22)19-15(24)18-12-6-4-5-7-12/h11-12H,4-10H2,1-3H3,(H,20,25)(H2,18,19,22,24)/t17-/m0/s1
InChIKeyDKEZVAOETDSKMN-KRWDZBQOSA-N
XLogP1.50
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.50
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-(cyclopentylamino)-2-oxoethyl] 2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 9011087
N-(2-methylcyclohexyl)-2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 17390572
N-[(1S,2S)-2-methylcyclohexyl]-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 25389480
2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide
CID 4810319
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8011881
N-(cyclopentylcarbamoyl)-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 7802553
N-(cyclohexylcarbamoyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 18777126
N-cyclopentyl-2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 60623061
2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylpropyl)acetamide
CID 7180641
2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 7180650
2-[4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(cyclohexylcarbamoyl)acetamide
CID 4813035
N-benzyl-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180750

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylcarbamoyl)-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(cyclopentylcarbamoyl)-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 41037231) is N-(cyclopentylcarbamoyl)-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(cyclopentylcarbamoyl)-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(cyclopentylcarbamoyl)-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide is CC(C)CC[C@]1(C)NC(=O)N(CC(=O)NC(=O)NC2CCCC2)C1=O.
What is the InChIKey of N-(cyclopentylcarbamoyl)-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is DKEZVAOETDSKMN-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H28N4O4/c1-11(2)8-9-17(3)14(23)21(16(25)20-17)10-13(22)19-15(24)18-12-6-4-5-7-12/h11-12H,4-10H2,1-3H3,(H,20,25)(H2,18,19,22,24)/t17-/m0/s1.
What are the key properties of N-(cyclopentylcarbamoyl)-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(cyclopentylcarbamoyl)-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 352.44 g/mol, XLogP of 1.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylcarbamoyl)-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 41037231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).