N-[(1S)-1-(furan-2-yl)ethyl]-2-[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]acetamide

C17H18N4O4 — CID 95322694

IUPACN-[(1S)-1-(furan-2-yl)ethyl]-2-[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]acetamide
SMILESC[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccccn2)C1=O)c1ccco1
InChIInChI=1S/C17H18N4O4/c1-11(12-6-5-9-25-12)19-14(22)10-21-15(23)17(2,20-16(21)24)13-7-3-4-8-18-13/h3-9,11H,10H2,1-2H3,(H,19,22)(H,20,24)/t11-,17+/m0/s1
InChIKeyUJKOHVHSXPKRAM-APPDUMDISA-N
MW342.36 g/mol
LogP1.32
Rot. Bonds5

About N-[(1S)-1-(furan-2-yl)ethyl]-2-[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]acetamide

N-[(1S)-1-(furan-2-yl)ethyl]-2-[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]acetamide (PubChem CID 95322694) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is N-[(1S)-1-(furan-2-yl)ethyl]-2-[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(furan-2-yl)ethyl]-2-[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]acetamide
PubChem CID95322694
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC NameN-[(1S)-1-(furan-2-yl)ethyl]-2-[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]acetamide
SMILESC[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccccn2)C1=O)c1ccco1
InChIInChI=1S/C17H18N4O4/c1-11(12-6-5-9-25-12)19-14(22)10-21-15(23)17(2,20-16(21)24)13-7-3-4-8-18-13/h3-9,11H,10H2,1-2H3,(H,19,22)(H,20,24)/t11-,17+/m0/s1
InChIKeyUJKOHVHSXPKRAM-APPDUMDISA-N
XLogP1.32
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethylcarbamoyl)-2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)acetamide
CID 56506442
2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 8570970
N-[1-(furan-2-yl)ethyl]-2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 102604049
2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 56506448
(5R)-3-(3,3-dimethyl-2-oxobutyl)-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
CID 95298044
(5R)-3-(2-bromoprop-2-enyl)-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
CID 95324169
2-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 9017578
N-(2,5-dichlorophenyl)-2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)acetamide
CID 56500870
N-(2-chloro-4-fluorophenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]acetamide
CID 97021769
2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 56504885
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1-phenylethyl)acetamide
CID 51139063
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 7266427

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-2-[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]acetamide?
The IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-2-[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]acetamide (CID 95322694) is N-[(1S)-1-(furan-2-yl)ethyl]-2-[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[(1S)-1-(furan-2-yl)ethyl]-2-[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[(1S)-1-(furan-2-yl)ethyl]-2-[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]acetamide is C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccccn2)C1=O)c1ccco1.
What is the InChIKey of N-[(1S)-1-(furan-2-yl)ethyl]-2-[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]acetamide?
The InChIKey is UJKOHVHSXPKRAM-APPDUMDISA-N. The full InChI is InChI=1S/C17H18N4O4/c1-11(12-6-5-9-25-12)19-14(22)10-21-15(23)17(2,20-16(21)24)13-7-3-4-8-18-13/h3-9,11H,10H2,1-2H3,(H,19,22)(H,20,24)/t11-,17+/m0/s1.
What are the key properties of N-[(1S)-1-(furan-2-yl)ethyl]-2-[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]acetamide?
N-[(1S)-1-(furan-2-yl)ethyl]-2-[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]acetamide has a molecular weight of 342.36 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(furan-2-yl)ethyl]-2-[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]acetamide is sourced from PubChem (CID 95322694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).