N-(furan-2-ylmethyl)-2-[(4S)-4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl]acetamide

C17H17N3O4 — CID 26075366

IUPACN-(furan-2-ylmethyl)-2-[(4S)-4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl]acetamide
SMILESC[C@H]1C(=O)N(CC(=O)NCc2ccco2)C(=O)N1c1ccccc1
InChIInChI=1S/C17H17N3O4/c1-12-16(22)19(11-15(21)18-10-14-8-5-9-24-14)17(23)20(12)13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H,18,21)/t12-/m0/s1
InChIKeyJPSDFGHWZXPBQE-LBPRGKRZSA-N
MW327.34 g/mol
LogP1.75
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-[(4S)-4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl]acetamide

N-(furan-2-ylmethyl)-2-[(4S)-4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl]acetamide (PubChem CID 26075366) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(4S)-4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(4S)-4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl]acetamide
PubChem CID26075366
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC NameN-(furan-2-ylmethyl)-2-[(4S)-4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl]acetamide
SMILESC[C@H]1C(=O)N(CC(=O)NCc2ccco2)C(=O)N1c1ccccc1
InChIInChI=1S/C17H17N3O4/c1-12-16(22)19(11-15(21)18-10-14-8-5-9-24-14)17(23)20(12)13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H,18,21)/t12-/m0/s1
InChIKeyJPSDFGHWZXPBQE-LBPRGKRZSA-N
XLogP1.75
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-[(4S)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51608700
2-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 17034773
N-(furan-2-ylmethyl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide
CID 17033509
N-(furan-2-ylmethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 112779007
2-[(1S,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 7272858
2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 757964
2-[(1S,2R,6R,7S,8S,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 124536568
2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 46809674
(4S)-N-(furan-2-ylmethyl)-3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carboxamide
CID 98258659
N-(furan-2-ylmethyl)-2-pyrrol-1-ylacetamide
CID 110688542
2-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64618280
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 106672810

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(4S)-4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(4S)-4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl]acetamide (CID 26075366) is N-(furan-2-ylmethyl)-2-[(4S)-4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(4S)-4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(4S)-4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl]acetamide is C[C@H]1C(=O)N(CC(=O)NCc2ccco2)C(=O)N1c1ccccc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(4S)-4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl]acetamide?
The InChIKey is JPSDFGHWZXPBQE-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-12-16(22)19(11-15(21)18-10-14-8-5-9-24-14)17(23)20(12)13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H,18,21)/t12-/m0/s1.
What are the key properties of N-(furan-2-ylmethyl)-2-[(4S)-4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl]acetamide?
N-(furan-2-ylmethyl)-2-[(4S)-4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl]acetamide has a molecular weight of 327.34 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[(4S)-4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl]acetamide is sourced from PubChem (CID 26075366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).