2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(1-pyridin-4-ylethyl)acetamide

C16H22N4O3 — CID 112761265

IUPAC2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(1-pyridin-4-ylethyl)acetamide
SMILESCCC1(CC)NC(=O)N(CC(=O)NC(C)c2ccncc2)C1=O
InChIInChI=1S/C16H22N4O3/c1-4-16(5-2)14(22)20(15(23)19-16)10-13(21)18-11(3)12-6-8-17-9-7-12/h6-9,11H,4-5,10H2,1-3H3,(H,18,21)(H,19,23)
InChIKeyKHGITRQWDHQIQH-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.37
Rot. Bonds6

About 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(1-pyridin-4-ylethyl)acetamide

2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(1-pyridin-4-ylethyl)acetamide (PubChem CID 112761265) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(1-pyridin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(1-pyridin-4-ylethyl)acetamide
PubChem CID112761265
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(1-pyridin-4-ylethyl)acetamide
SMILESCCC1(CC)NC(=O)N(CC(=O)NC(C)c2ccncc2)C1=O
InChIInChI=1S/C16H22N4O3/c1-4-16(5-2)14(22)20(15(23)19-16)10-13(21)18-11(3)12-6-8-17-9-7-12/h6-9,11H,4-5,10H2,1-3H3,(H,18,21)(H,19,23)
InChIKeyKHGITRQWDHQIQH-UHFFFAOYSA-N
XLogP1.37
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.37
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-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 51883733
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 18775726
N-benzhydryl-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2425467
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
CID 51214124
[2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7691482
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 2436338
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 7266427
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1-phenylethyl)acetamide
CID 51139063
2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 112774012
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 40939205
2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 7595825
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 41046411

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(1-pyridin-4-ylethyl)acetamide?
The IUPAC name of 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(1-pyridin-4-ylethyl)acetamide (CID 112761265) is 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(1-pyridin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(1-pyridin-4-ylethyl)acetamide?
The canonical SMILES for 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(1-pyridin-4-ylethyl)acetamide is CCC1(CC)NC(=O)N(CC(=O)NC(C)c2ccncc2)C1=O.
What is the InChIKey of 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(1-pyridin-4-ylethyl)acetamide?
The InChIKey is KHGITRQWDHQIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-4-16(5-2)14(22)20(15(23)19-16)10-13(21)18-11(3)12-6-8-17-9-7-12/h6-9,11H,4-5,10H2,1-3H3,(H,18,21)(H,19,23).
What are the key properties of 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(1-pyridin-4-ylethyl)acetamide?
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(1-pyridin-4-ylethyl)acetamide has a molecular weight of 318.38 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(1-pyridin-4-ylethyl)acetamide is sourced from PubChem (CID 112761265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).