N-[[(2S)-oxolan-2-yl]methyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide

C13H19N3O5 — CID 9379865

IUPACN-[[(2S)-oxolan-2-yl]methyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
SMILESCCCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCCO2)C1=O
InChIInChI=1S/C13H19N3O5/c1-2-5-15-11(18)12(19)16(13(15)20)8-10(17)14-7-9-4-3-6-21-9/h9H,2-8H2,1H3,(H,14,17)/t9-/m0/s1
InChIKeyPGQLLJCXKNEAFB-VIFPVBQESA-N
MW297.31 g/mol
LogP-0.52
Rot. Bonds6

About N-[[(2S)-oxolan-2-yl]methyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide

N-[[(2S)-oxolan-2-yl]methyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide (PubChem CID 9379865) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
PubChem CID9379865
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
SMILESCCCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCCO2)C1=O
InChIInChI=1S/C13H19N3O5/c1-2-5-15-11(18)12(19)16(13(15)20)8-10(17)14-7-9-4-3-6-21-9/h9H,2-8H2,1H3,(H,14,17)/t9-/m0/s1
InChIKeyPGQLLJCXKNEAFB-VIFPVBQESA-N
XLogP-0.52
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-0.52
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-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7756532
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 9379896
1-[2-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl]-3-propylimidazolidine-2,4,5-trione
CID 8626415
2-(butylamino)-N-(oxolan-2-ylmethyl)acetamide
CID 54815697
3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 8713475
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 2978035
2-(hexadecylamino)-N-(oxolan-2-ylmethyl)acetamide
CID 54808872
N-prop-2-ynyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 9379902
2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7236802
2-[(2R)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 6542601
2-[(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 126223659
N-(cyclohexylmethyl)-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 2518119

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide (CID 9379865) is N-[[(2S)-oxolan-2-yl]methyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide is CCCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCCO2)C1=O.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide?
The InChIKey is PGQLLJCXKNEAFB-VIFPVBQESA-N. The full InChI is InChI=1S/C13H19N3O5/c1-2-5-15-11(18)12(19)16(13(15)20)8-10(17)14-7-9-4-3-6-21-9/h9H,2-8H2,1H3,(H,14,17)/t9-/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide?
N-[[(2S)-oxolan-2-yl]methyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide has a molecular weight of 297.31 g/mol, XLogP of -0.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 9379865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).