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

C19H21N3O5 — CID 51835059

IUPACN-(furan-2-ylmethyl)-3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESCOc1ccc(CN2C(=O)N[C@H](CCC(=O)NCc3ccco3)C2=O)cc1
InChIInChI=1S/C19H21N3O5/c1-26-14-6-4-13(5-7-14)12-22-18(24)16(21-19(22)25)8-9-17(23)20-11-15-3-2-10-27-15/h2-7,10,16H,8-9,11-12H2,1H3,(H,20,23)(H,21,25)/t16-/m1/s1
InChIKeyXWIAZEABZZSRCD-MRXNPFEDSA-N
MW371.39 g/mol
LogP1.81
Rot. Bonds8

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

N-(furan-2-ylmethyl)-3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide (PubChem CID 51835059) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
PubChem CID51835059
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC NameN-(furan-2-ylmethyl)-3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESCOc1ccc(CN2C(=O)N[C@H](CCC(=O)NCc3ccco3)C2=O)cc1
InChIInChI=1S/C19H21N3O5/c1-26-14-6-4-13(5-7-14)12-22-18(24)16(21-19(22)25)8-9-17(23)20-11-15-3-2-10-27-15/h2-7,10,16H,8-9,11-12H2,1H3,(H,20,23)(H,21,25)/t16-/m1/s1
InChIKeyXWIAZEABZZSRCD-MRXNPFEDSA-N
XLogP1.81
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 51.81
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

3-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(furan-2-ylmethyl)propanamide
CID 110210455
N-[(3-methoxyphenyl)methyl]-3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 73258308
N-(furan-2-ylmethyl)-2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75491512
N-(furan-2-ylmethyl)-3-[1-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 45371379
3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-4-ylmethyl)propanamide
CID 51829659
3-[(4R)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(furan-2-ylmethyl)propanamide
CID 51829953
2-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 99871043
N-[2-(dimethylamino)ethyl]-3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 75531975
N-[2-(4-hydroxyphenyl)ethyl]-3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 91638035
3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide
CID 75489604
3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 75489147
3-[(4R)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 51833849

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide (CID 51835059) is N-(furan-2-ylmethyl)-3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide is COc1ccc(CN2C(=O)N[C@H](CCC(=O)NCc3ccco3)C2=O)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide?
The InChIKey is XWIAZEABZZSRCD-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-26-14-6-4-13(5-7-14)12-22-18(24)16(21-19(22)25)8-9-17(23)20-11-15-3-2-10-27-15/h2-7,10,16H,8-9,11-12H2,1H3,(H,20,23)(H,21,25)/t16-/m1/s1.
What are the key properties of N-(furan-2-ylmethyl)-3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide?
N-(furan-2-ylmethyl)-3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide has a molecular weight of 371.39 g/mol, XLogP of 1.81, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide is sourced from PubChem (CID 51835059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).