N-[2-(furan-2-yl)ethyl]-2-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide

C16H17N3O5 — CID 91639661

IUPACN-[2-(furan-2-yl)ethyl]-2-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESO=C(C[C@@H]1NC(=O)N(Cc2ccco2)C1=O)NCCc1ccco1
InChIInChI=1S/C16H17N3O5/c20-14(17-6-5-11-3-1-7-23-11)9-13-15(21)19(16(22)18-13)10-12-4-2-8-24-12/h1-4,7-8,13H,5-6,9-10H2,(H,17,20)(H,18,22)/t13-/m0/s1
InChIKeyBWORHSZLAZJEMT-ZDUSSCGKSA-N
MW331.33 g/mol
LogP1.04
Rot. Bonds7

About N-[2-(furan-2-yl)ethyl]-2-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide

N-[2-(furan-2-yl)ethyl]-2-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide (PubChem CID 91639661) has the molecular formula C16H17N3O5 and a molecular weight of 331.33 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-2-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-2-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide
PubChem CID91639661
Molecular FormulaC16H17N3O5
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC NameN-[2-(furan-2-yl)ethyl]-2-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESO=C(C[C@@H]1NC(=O)N(Cc2ccco2)C1=O)NCCc1ccco1
InChIInChI=1S/C16H17N3O5/c20-14(17-6-5-11-3-1-7-23-11)9-13-15(21)19(16(22)18-13)10-12-4-2-8-24-12/h1-4,7-8,13H,5-6,9-10H2,(H,17,20)(H,18,22)/t13-/m0/s1
InChIKeyBWORHSZLAZJEMT-ZDUSSCGKSA-N
XLogP1.04
TPSA104.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 51.04
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-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 122169377
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 126417608
2-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(2-pyrazol-1-ylethyl)acetamide
CID 126418599
2-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 122169381
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 91639556
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
2-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]acetamide
CID 124862622
2-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 29136185
2-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 99871043
2-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)acetamide
CID 110210087
(5R)-3-(furan-2-ylmethyl)-5-(2-oxo-2-thiomorpholin-4-ylethyl)imidazolidine-2,4-dione
CID 124863015

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-2-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-2-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide (CID 91639661) is N-[2-(furan-2-yl)ethyl]-2-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-2-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-2-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide is O=C(C[C@@H]1NC(=O)N(Cc2ccco2)C1=O)NCCc1ccco1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-2-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
The InChIKey is BWORHSZLAZJEMT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H17N3O5/c20-14(17-6-5-11-3-1-7-23-11)9-13-15(21)19(16(22)18-13)10-12-4-2-8-24-12/h1-4,7-8,13H,5-6,9-10H2,(H,17,20)(H,18,22)/t13-/m0/s1.
What are the key properties of N-[2-(furan-2-yl)ethyl]-2-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
N-[2-(furan-2-yl)ethyl]-2-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide has a molecular weight of 331.33 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-2-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide is sourced from PubChem (CID 91639661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).