N-(furan-2-ylmethyl)-3-[1-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,5-dioxoimidazolidin-4-yl]propanamide

C24H29N3O6 — CID 45371379

IUPACN-(furan-2-ylmethyl)-3-[1-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESCOc1ccc(C2(CN3C(=O)NC(CCC(=O)NCc4ccco4)C3=O)CCOCC2)cc1
InChIInChI=1S/C24H29N3O6/c1-31-18-6-4-17(5-7-18)24(10-13-32-14-11-24)16-27-22(29)20(26-23(27)30)8-9-21(28)25-15-19-3-2-12-33-19/h2-7,12,20H,8-11,13-16H2,1H3,(H,25,28)(H,26,30)
InChIKeyHILBIYBBFMRPHE-UHFFFAOYSA-N
MW455.51 g/mol
LogP2.35
Rot. Bonds9

About N-(furan-2-ylmethyl)-3-[1-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,5-dioxoimidazolidin-4-yl]propanamide

N-(furan-2-ylmethyl)-3-[1-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,5-dioxoimidazolidin-4-yl]propanamide (PubChem CID 45371379) has the molecular formula C24H29N3O6 and a molecular weight of 455.51 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-[1-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,5-dioxoimidazolidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-[1-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
PubChem CID45371379
Molecular FormulaC24H29N3O6
Molecular Weight455.51 g/mol
Exact Mass455.21
IUPAC NameN-(furan-2-ylmethyl)-3-[1-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESCOc1ccc(C2(CN3C(=O)NC(CCC(=O)NCc4ccco4)C3=O)CCOCC2)cc1
InChIInChI=1S/C24H29N3O6/c1-31-18-6-4-17(5-7-18)24(10-13-32-14-11-24)16-27-22(29)20(26-23(27)30)8-9-21(28)25-15-19-3-2-12-33-19/h2-7,12,20H,8-11,13-16H2,1H3,(H,25,28)(H,26,30)
InChIKeyHILBIYBBFMRPHE-UHFFFAOYSA-N
XLogP2.35
TPSA110.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 51835059
N-(2-fluorophenyl)-3-[1-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 45371178
3-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(furan-2-ylmethyl)propanamide
CID 110210455
N-(furan-2-ylmethyl)-2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75491512
3-[(4R)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(furan-2-ylmethyl)propanamide
CID 51829953
3-[(4R)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)propanamide
CID 99871365
3-[(4S)-2,5-dioxo-1-[(1R)-1-phenylethyl]imidazolidin-4-yl]-N-(furan-2-ylmethyl)propanamide
CID 51829656
3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 75489147
N-[(3-methoxyphenyl)methyl]-3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 73258308
N-(furan-2-ylmethyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108945089
3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(3-methylbutyl)propanamide
CID 73257802
2-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 99871043

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-[1-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,5-dioxoimidazolidin-4-yl]propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-[1-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,5-dioxoimidazolidin-4-yl]propanamide (CID 45371379) is N-(furan-2-ylmethyl)-3-[1-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,5-dioxoimidazolidin-4-yl]propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-[1-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,5-dioxoimidazolidin-4-yl]propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-[1-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,5-dioxoimidazolidin-4-yl]propanamide is COc1ccc(C2(CN3C(=O)NC(CCC(=O)NCc4ccco4)C3=O)CCOCC2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-[1-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,5-dioxoimidazolidin-4-yl]propanamide?
The InChIKey is HILBIYBBFMRPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O6/c1-31-18-6-4-17(5-7-18)24(10-13-32-14-11-24)16-27-22(29)20(26-23(27)30)8-9-21(28)25-15-19-3-2-12-33-19/h2-7,12,20H,8-11,13-16H2,1H3,(H,25,28)(H,26,30).
What are the key properties of N-(furan-2-ylmethyl)-3-[1-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,5-dioxoimidazolidin-4-yl]propanamide?
N-(furan-2-ylmethyl)-3-[1-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,5-dioxoimidazolidin-4-yl]propanamide has a molecular weight of 455.51 g/mol, XLogP of 2.35, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-[1-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,5-dioxoimidazolidin-4-yl]propanamide is sourced from PubChem (CID 45371379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).