3-[(4S)-2,5-dioxo-1-[(1R)-1-phenylethyl]imidazolidin-4-yl]-N-(furan-2-ylmethyl)propanamide

C19H21N3O4 — CID 51829656

IUPAC3-[(4S)-2,5-dioxo-1-[(1R)-1-phenylethyl]imidazolidin-4-yl]-N-(furan-2-ylmethyl)propanamide
SMILESC[C@H](c1ccccc1)N1C(=O)N[C@@H](CCC(=O)NCc2ccco2)C1=O
InChIInChI=1S/C19H21N3O4/c1-13(14-6-3-2-4-7-14)22-18(24)16(21-19(22)25)9-10-17(23)20-12-15-8-5-11-26-15/h2-8,11,13,16H,9-10,12H2,1H3,(H,20,23)(H,21,25)/t13-,16+/m1/s1
InChIKeyULBULRUDAHSUDY-CJNGLKHVSA-N
MW355.39 g/mol
LogP2.36
Rot. Bonds7

About 3-[(4S)-2,5-dioxo-1-[(1R)-1-phenylethyl]imidazolidin-4-yl]-N-(furan-2-ylmethyl)propanamide

3-[(4S)-2,5-dioxo-1-[(1R)-1-phenylethyl]imidazolidin-4-yl]-N-(furan-2-ylmethyl)propanamide (PubChem CID 51829656) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 3-[(4S)-2,5-dioxo-1-[(1R)-1-phenylethyl]imidazolidin-4-yl]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[(4S)-2,5-dioxo-1-[(1R)-1-phenylethyl]imidazolidin-4-yl]-N-(furan-2-ylmethyl)propanamide
PubChem CID51829656
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name3-[(4S)-2,5-dioxo-1-[(1R)-1-phenylethyl]imidazolidin-4-yl]-N-(furan-2-ylmethyl)propanamide
SMILESC[C@H](c1ccccc1)N1C(=O)N[C@@H](CCC(=O)NCc2ccco2)C1=O
InChIInChI=1S/C19H21N3O4/c1-13(14-6-3-2-4-7-14)22-18(24)16(21-19(22)25)9-10-17(23)20-12-15-8-5-11-26-15/h2-8,11,13,16H,9-10,12H2,1H3,(H,20,23)(H,21,25)/t13-,16+/m1/s1
InChIKeyULBULRUDAHSUDY-CJNGLKHVSA-N
XLogP2.36
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.36
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

3-[(4R)-2,5-dioxo-1-[(1S)-1-phenylethyl]imidazolidin-4-yl]-N-propylpropanamide
CID 51834190
3-[(4R)-2,5-dioxo-1-[(1R)-1-phenylethyl]imidazolidin-4-yl]-N-naphthalen-1-ylpropanamide
CID 51833335
N-cyclooctyl-3-[(4S)-2,5-dioxo-1-[(1R)-1-phenylethyl]imidazolidin-4-yl]propanamide
CID 18398126
3-[(4R)-2,5-dioxo-1-[(1R)-1-phenylethyl]imidazolidin-4-yl]-N-(4-phenoxyphenyl)propanamide
CID 51836598
N-(furan-2-ylmethyl)-3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 51835059
3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(3-methylbutyl)propanamide
CID 73257802
3-[(4R)-2,5-dioxo-1-[(1S)-1-phenylethyl]imidazolidin-4-yl]-N-(9-ethylcarbazol-3-yl)propanamide
CID 51815621
3-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(furan-2-ylmethyl)propanamide
CID 110210455
3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]propanamide
CID 75489558
3-[(4R)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(furan-2-ylmethyl)propanamide
CID 51829953
N-(furan-2-ylmethyl)-3,3-diphenylpropanamide
CID 2259031
N-(furan-2-ylmethyl)-3-[1-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 45371379

Frequently Asked Questions

What is the IUPAC name of 3-[(4S)-2,5-dioxo-1-[(1R)-1-phenylethyl]imidazolidin-4-yl]-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 3-[(4S)-2,5-dioxo-1-[(1R)-1-phenylethyl]imidazolidin-4-yl]-N-(furan-2-ylmethyl)propanamide (CID 51829656) is 3-[(4S)-2,5-dioxo-1-[(1R)-1-phenylethyl]imidazolidin-4-yl]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[(4S)-2,5-dioxo-1-[(1R)-1-phenylethyl]imidazolidin-4-yl]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[(4S)-2,5-dioxo-1-[(1R)-1-phenylethyl]imidazolidin-4-yl]-N-(furan-2-ylmethyl)propanamide is C[C@H](c1ccccc1)N1C(=O)N[C@@H](CCC(=O)NCc2ccco2)C1=O.
What is the InChIKey of 3-[(4S)-2,5-dioxo-1-[(1R)-1-phenylethyl]imidazolidin-4-yl]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is ULBULRUDAHSUDY-CJNGLKHVSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-13(14-6-3-2-4-7-14)22-18(24)16(21-19(22)25)9-10-17(23)20-12-15-8-5-11-26-15/h2-8,11,13,16H,9-10,12H2,1H3,(H,20,23)(H,21,25)/t13-,16+/m1/s1.
What are the key properties of 3-[(4S)-2,5-dioxo-1-[(1R)-1-phenylethyl]imidazolidin-4-yl]-N-(furan-2-ylmethyl)propanamide?
3-[(4S)-2,5-dioxo-1-[(1R)-1-phenylethyl]imidazolidin-4-yl]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 355.39 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4S)-2,5-dioxo-1-[(1R)-1-phenylethyl]imidazolidin-4-yl]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 51829656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).