N-[(2R)-butan-2-yl]-2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide

C14H17N3O5 — CID 9374600

IUPACN-[(2R)-butan-2-yl]-2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESCC[C@@H](C)NC(=O)CN1C(=O)C(=O)N(Cc2ccco2)C1=O
InChIInChI=1S/C14H17N3O5/c1-3-9(2)15-11(18)8-17-13(20)12(19)16(14(17)21)7-10-5-4-6-22-10/h4-6,9H,3,7-8H2,1-2H3,(H,15,18)/t9-/m1/s1
InChIKeyCLOCPMPSRQRCJE-SECBINFHSA-N
MW307.31 g/mol
LogP0.49
Rot. Bonds6

About N-[(2R)-butan-2-yl]-2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide

N-[(2R)-butan-2-yl]-2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide (PubChem CID 9374600) has the molecular formula C14H17N3O5 and a molecular weight of 307.31 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
PubChem CID9374600
Molecular FormulaC14H17N3O5
Molecular Weight307.31 g/mol
Exact Mass307.12
IUPAC NameN-[(2R)-butan-2-yl]-2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESCC[C@@H](C)NC(=O)CN1C(=O)C(=O)N(Cc2ccco2)C1=O
InChIInChI=1S/C14H17N3O5/c1-3-9(2)15-11(18)8-17-13(20)12(19)16(14(17)21)7-10-5-4-6-22-10/h4-6,9H,3,7-8H2,1-2H3,(H,15,18)/t9-/m1/s1
InChIKeyCLOCPMPSRQRCJE-SECBINFHSA-N
XLogP0.49
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(2R)-butan-2-yl]acetamide
CID 7819698
N-tert-butyl-2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 9374605
2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 9374673
2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 9374714
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 9374666
2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide
CID 4782480
2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 4968274
1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-3-(furan-2-ylmethyl)imidazolidine-2,4,5-trione
CID 9320637
N-[[(2S)-butan-2-yl]carbamoyl]-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 7824261
N-butan-2-yl-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 5211162
2-[4-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]piperazin-1-yl]-N-butan-2-ylacetamide
CID 55570754
1-(furan-2-ylmethyl)-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
CID 2572518

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[(2R)-butan-2-yl]-2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide (CID 9374600) is N-[(2R)-butan-2-yl]-2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide is CC[C@@H](C)NC(=O)CN1C(=O)C(=O)N(Cc2ccco2)C1=O.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The InChIKey is CLOCPMPSRQRCJE-SECBINFHSA-N. The full InChI is InChI=1S/C14H17N3O5/c1-3-9(2)15-11(18)8-17-13(20)12(19)16(14(17)21)7-10-5-4-6-22-10/h4-6,9H,3,7-8H2,1-2H3,(H,15,18)/t9-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
N-[(2R)-butan-2-yl]-2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide has a molecular weight of 307.31 g/mol, XLogP of 0.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 9374600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).