3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]propanamide

C20H23N3O5 — CID 110209925

IUPAC3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]propanamide
SMILESO=C(CCC1NC(=O)N(Cc2ccco2)C1=O)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C20H23N3O5/c24-13-15(11-14-5-2-1-3-6-14)21-18(25)9-8-17-19(26)23(20(27)22-17)12-16-7-4-10-28-16/h1-7,10,15,17,24H,8-9,11-13H2,(H,21,25)(H,22,27)/t15-,17?/m0/s1
InChIKeyFMJAQNFRHXADMQ-MYJWUSKBSA-N
MW385.42 g/mol
LogP1.20
Rot. Bonds9

About 3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]propanamide

3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]propanamide (PubChem CID 110209925) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is 3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]propanamide.

Molecular Properties

Compound Name3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]propanamide
PubChem CID110209925
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC Name3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]propanamide
SMILESO=C(CCC1NC(=O)N(Cc2ccco2)C1=O)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C20H23N3O5/c24-13-15(11-14-5-2-1-3-6-14)21-18(25)9-8-17-19(26)23(20(27)22-17)12-16-7-4-10-28-16/h1-7,10,15,17,24H,8-9,11-13H2,(H,21,25)(H,22,27)/t15-,17?/m0/s1
InChIKeyFMJAQNFRHXADMQ-MYJWUSKBSA-N
XLogP1.20
TPSA111.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]propanamide
CID 124864584
N-(1-benzylpiperidin-4-yl)-3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 75531749
3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]propanamide
CID 124863370
2-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(2-hydroxy-1-phenylethyl)acetamide
CID 110210427
3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(3-methylbutyl)propanamide
CID 73257802
3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 91639750
2-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)acetamide
CID 110210087
(5S)-5-benzyl-3-(furan-2-ylmethyl)imidazolidine-2,4-dione
CID 11196501
N-(3-chloro-4-fluorophenyl)-3-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 51833605
(5R)-3-(furan-2-ylmethyl)-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
CID 99870969
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 91638711
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 91901529

Frequently Asked Questions

What is the IUPAC name of 3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]propanamide?
The IUPAC name of 3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]propanamide (CID 110209925) is 3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]propanamide.
What is the SMILES notation for 3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]propanamide?
The canonical SMILES for 3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]propanamide is O=C(CCC1NC(=O)N(Cc2ccco2)C1=O)N[C@H](CO)Cc1ccccc1.
What is the InChIKey of 3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]propanamide?
The InChIKey is FMJAQNFRHXADMQ-MYJWUSKBSA-N. The full InChI is InChI=1S/C20H23N3O5/c24-13-15(11-14-5-2-1-3-6-14)21-18(25)9-8-17-19(26)23(20(27)22-17)12-16-7-4-10-28-16/h1-7,10,15,17,24H,8-9,11-13H2,(H,21,25)(H,22,27)/t15-,17?/m0/s1.
What are the key properties of 3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]propanamide?
3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]propanamide has a molecular weight of 385.42 g/mol, XLogP of 1.20, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]propanamide is sourced from PubChem (CID 110209925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).