N'-[2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetyl]furan-2-carbohydrazide

C16H22N4O5 — CID 9476496

IUPACN'-[2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetyl]furan-2-carbohydrazide
SMILESCCCC1(CCC)NC(=O)N(CC(=O)NNC(=O)c2ccco2)C1=O
InChIInChI=1S/C16H22N4O5/c1-3-7-16(8-4-2)14(23)20(15(24)17-16)10-12(21)18-19-13(22)11-6-5-9-25-11/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,17,24)(H,18,21)(H,19,22)
InChIKeyBVCDWXDOZIICDS-UHFFFAOYSA-N
MW350.38 g/mol
LogP0.93
Rot. Bonds7

About N'-[2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetyl]furan-2-carbohydrazide

N'-[2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetyl]furan-2-carbohydrazide (PubChem CID 9476496) has the molecular formula C16H22N4O5 and a molecular weight of 350.38 g/mol. Its IUPAC name is N'-[2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetyl]furan-2-carbohydrazide
PubChem CID9476496
Molecular FormulaC16H22N4O5
Molecular Weight350.38 g/mol
Exact Mass350.16
IUPAC NameN'-[2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetyl]furan-2-carbohydrazide
SMILESCCCC1(CCC)NC(=O)N(CC(=O)NNC(=O)c2ccco2)C1=O
InChIInChI=1S/C16H22N4O5/c1-3-7-16(8-4-2)14(23)20(15(24)17-16)10-12(21)18-19-13(22)11-6-5-9-25-11/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,17,24)(H,18,21)(H,19,22)
InChIKeyBVCDWXDOZIICDS-UHFFFAOYSA-N
XLogP0.93
TPSA120.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

benzyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 7617485
2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7998160
N-(4-bromophenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide
CID 7241991
2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide
CID 7242029
2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 112774012
2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-(2-methylpropyl)acetamide
CID 7241972
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 7617393
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide
CID 47004622
2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 51883733
N-(2,5-dimethylphenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide
CID 2579807
N-(4-cyanophenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide
CID 2078188
2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 24565725

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetyl]furan-2-carbohydrazide?
The IUPAC name of N'-[2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetyl]furan-2-carbohydrazide (CID 9476496) is N'-[2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetyl]furan-2-carbohydrazide?
The canonical SMILES for N'-[2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetyl]furan-2-carbohydrazide is CCCC1(CCC)NC(=O)N(CC(=O)NNC(=O)c2ccco2)C1=O.
What is the InChIKey of N'-[2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetyl]furan-2-carbohydrazide?
The InChIKey is BVCDWXDOZIICDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O5/c1-3-7-16(8-4-2)14(23)20(15(24)17-16)10-12(21)18-19-13(22)11-6-5-9-25-11/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,17,24)(H,18,21)(H,19,22).
What are the key properties of N'-[2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetyl]furan-2-carbohydrazide?
N'-[2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetyl]furan-2-carbohydrazide has a molecular weight of 350.38 g/mol, XLogP of 0.93, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetyl]furan-2-carbohydrazide is sourced from PubChem (CID 9476496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).