3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylcyclopentyl)propanamide

C14H23N3O3 — CID 114549974

IUPAC3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylcyclopentyl)propanamide
SMILESCC1CCC(NC(=O)CCN2C(=O)NC(C)(C)C2=O)C1
InChIInChI=1S/C14H23N3O3/c1-9-4-5-10(8-9)15-11(18)6-7-17-12(19)14(2,3)16-13(17)20/h9-10H,4-8H2,1-3H3,(H,15,18)(H,16,20)
InChIKeyTXOQCOJZFISAKF-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.01
Rot. Bonds4

About 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylcyclopentyl)propanamide

3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylcyclopentyl)propanamide (PubChem CID 114549974) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylcyclopentyl)propanamide.

Molecular Properties

Compound Name3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylcyclopentyl)propanamide
PubChem CID114549974
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylcyclopentyl)propanamide
SMILESCC1CCC(NC(=O)CCN2C(=O)NC(C)(C)C2=O)C1
InChIInChI=1S/C14H23N3O3/c1-9-4-5-10(8-9)15-11(18)6-7-17-12(19)14(2,3)16-13(17)20/h9-10H,4-8H2,1-3H3,(H,15,18)(H,16,20)
InChIKeyTXOQCOJZFISAKF-UHFFFAOYSA-N
XLogP1.01
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.01
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

3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(6-oxopiperidin-3-yl)propanamide
CID 62896427
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride
CID 120601198
ethyl 3-[4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]cyclopentane-1-carboxylate
CID 75427428
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-hydroxycyclohexyl)propanamide
CID 62367006
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylpropanamide
CID 60656567
N-cycloheptyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 17409825
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1-propylpiperidin-4-yl)acetamide
CID 86907090
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]propanamide
CID 46955875
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 41078944
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119450875
N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide
CID 124725635
(2S)-2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoylamino]propanoic acid
CID 93263187

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylcyclopentyl)propanamide?
The IUPAC name of 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylcyclopentyl)propanamide (CID 114549974) is 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylcyclopentyl)propanamide.
What is the SMILES notation for 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylcyclopentyl)propanamide?
The canonical SMILES for 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylcyclopentyl)propanamide is CC1CCC(NC(=O)CCN2C(=O)NC(C)(C)C2=O)C1.
What is the InChIKey of 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylcyclopentyl)propanamide?
The InChIKey is TXOQCOJZFISAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-9-4-5-10(8-9)15-11(18)6-7-17-12(19)14(2,3)16-13(17)20/h9-10H,4-8H2,1-3H3,(H,15,18)(H,16,20).
What are the key properties of 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylcyclopentyl)propanamide?
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylcyclopentyl)propanamide has a molecular weight of 281.36 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylcyclopentyl)propanamide is sourced from PubChem (CID 114549974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).