4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]butanamide

C16H22N4O4 — CID 18167356

IUPAC4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]butanamide
SMILESCOc1cc(CNC(=O)CCCN2C(=O)NC(C)(C)C2=O)ccn1
InChIInChI=1S/C16H22N4O4/c1-16(2)14(22)20(15(23)19-16)8-4-5-12(21)18-10-11-6-7-17-13(9-11)24-3/h6-7,9H,4-5,8,10H2,1-3H3,(H,18,21)(H,19,23)
InChIKeyJYYPSGIGBDJUDE-UHFFFAOYSA-N
MW334.38 g/mol
LogP0.82
Rot. Bonds7

About 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]butanamide

4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]butanamide (PubChem CID 18167356) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]butanamide.

Molecular Properties

Compound Name4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]butanamide
PubChem CID18167356
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC Name4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]butanamide
SMILESCOc1cc(CNC(=O)CCCN2C(=O)NC(C)(C)C2=O)ccn1
InChIInChI=1S/C16H22N4O4/c1-16(2)14(22)20(15(23)19-16)8-4-5-12(21)18-10-11-6-7-17-13(9-11)24-3/h6-7,9H,4-5,8,10H2,1-3H3,(H,18,21)(H,19,23)
InChIKeyJYYPSGIGBDJUDE-UHFFFAOYSA-N
XLogP0.82
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]butanamide with MolForge

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Related Compounds

N-[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide
CID 2962313
N-(4-methoxyphenyl)-2-[1-methyl-5-oxo-3-(4-pyridinylmethyl)-2-thioxo-4-imidazolidinyl]acetamide
CID 2936303
2-[2,5-dioxo-1-phenyl-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 3165115
1-(4-Methoxyphenyl)-3-[(pyridin-4-ylmethyl)amino]pyrrolidine-2,5-dione
CID 2877659
2-[1-ethyl-5-oxo-3-(pyridin-3-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 2936988
2-{1-(4-methoxyphenyl)-2,5-dioxo-3-[2-(pyridin-4-yl)ethyl]imidazolidin-4-yl}-N-(4-propoxyphenyl)acetamide
CID 16022106
2-(4-ethyl-2,5-dioxo-4-phenyl-1-imidazolidinyl)-N-(6-methoxy-3-pyridinyl)acetamide
CID 24817800
(5E)-3-ethyl-5-[(6-methoxy-3-pyridinyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 122186450
(5E)-5-[(2-methoxy-4-pyridinyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
CID 122186466
N-ethyl-2-[1-(4-methoxyphenyl)-5-oxo-3-(2-pyridin-4-ylethyl)-2-thioxoimidazolidin-4-yl]acetamide
CID 4920708
2-[1-(4-fluorophenyl)-2,5-dioxo-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 3165114
N-(4-methoxyphenyl)-2-[1-(3-methylphenyl)-2,5-dioxo-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]acetamide
CID 3165119

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]butanamide?
The IUPAC name of 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]butanamide (CID 18167356) is 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]butanamide.
What is the SMILES notation for 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]butanamide?
The canonical SMILES for 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]butanamide is COc1cc(CNC(=O)CCCN2C(=O)NC(C)(C)C2=O)ccn1.
What is the InChIKey of 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]butanamide?
The InChIKey is JYYPSGIGBDJUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4/c1-16(2)14(22)20(15(23)19-16)8-4-5-12(21)18-10-11-6-7-17-13(9-11)24-3/h6-7,9H,4-5,8,10H2,1-3H3,(H,18,21)(H,19,23).
What are the key properties of 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]butanamide?
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]butanamide has a molecular weight of 334.38 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]butanamide is sourced from PubChem (CID 18167356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).