3-[1-[4-(hydroxyiminomethyl)phenyl]-2,5-dioxoimidazolidin-4-yl]propanamide

C13H14N4O4 — CID 88659796

IUPAC3-[1-[4-(hydroxyiminomethyl)phenyl]-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESNC(=O)CCC1NC(=O)N(c2ccc(C=NO)cc2)C1=O
InChIInChI=1S/C13H14N4O4/c14-11(18)6-5-10-12(19)17(13(20)16-10)9-3-1-8(2-4-9)7-15-21/h1-4,7,10,21H,5-6H2,(H2,14,18)(H,16,20)
InChIKeyCCINGSCPQDMBRZ-UHFFFAOYSA-N
MW290.28 g/mol
LogP0.19
Rot. Bonds5

About 3-[1-[4-(hydroxyiminomethyl)phenyl]-2,5-dioxoimidazolidin-4-yl]propanamide

3-[1-[4-(hydroxyiminomethyl)phenyl]-2,5-dioxoimidazolidin-4-yl]propanamide (PubChem CID 88659796) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is 3-[1-[4-(hydroxyiminomethyl)phenyl]-2,5-dioxoimidazolidin-4-yl]propanamide.

Molecular Properties

Compound Name3-[1-[4-(hydroxyiminomethyl)phenyl]-2,5-dioxoimidazolidin-4-yl]propanamide
PubChem CID88659796
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC Name3-[1-[4-(hydroxyiminomethyl)phenyl]-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESNC(=O)CCC1NC(=O)N(c2ccc(C=NO)cc2)C1=O
InChIInChI=1S/C13H14N4O4/c14-11(18)6-5-10-12(19)17(13(20)16-10)9-3-1-8(2-4-9)7-15-21/h1-4,7,10,21H,5-6H2,(H2,14,18)(H,16,20)
InChIKeyCCINGSCPQDMBRZ-UHFFFAOYSA-N
XLogP0.19
TPSA125.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(hydroxyiminomethyl)phenyl]-2,5-dioxoimidazolidin-4-yl]propanamide?
The IUPAC name of 3-[1-[4-(hydroxyiminomethyl)phenyl]-2,5-dioxoimidazolidin-4-yl]propanamide (CID 88659796) is 3-[1-[4-(hydroxyiminomethyl)phenyl]-2,5-dioxoimidazolidin-4-yl]propanamide.
What is the SMILES notation for 3-[1-[4-(hydroxyiminomethyl)phenyl]-2,5-dioxoimidazolidin-4-yl]propanamide?
The canonical SMILES for 3-[1-[4-(hydroxyiminomethyl)phenyl]-2,5-dioxoimidazolidin-4-yl]propanamide is NC(=O)CCC1NC(=O)N(c2ccc(C=NO)cc2)C1=O.
What is the InChIKey of 3-[1-[4-(hydroxyiminomethyl)phenyl]-2,5-dioxoimidazolidin-4-yl]propanamide?
The InChIKey is CCINGSCPQDMBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4/c14-11(18)6-5-10-12(19)17(13(20)16-10)9-3-1-8(2-4-9)7-15-21/h1-4,7,10,21H,5-6H2,(H2,14,18)(H,16,20).
What are the key properties of 3-[1-[4-(hydroxyiminomethyl)phenyl]-2,5-dioxoimidazolidin-4-yl]propanamide?
3-[1-[4-(hydroxyiminomethyl)phenyl]-2,5-dioxoimidazolidin-4-yl]propanamide has a molecular weight of 290.28 g/mol, XLogP of 0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(hydroxyiminomethyl)phenyl]-2,5-dioxoimidazolidin-4-yl]propanamide is sourced from PubChem (CID 88659796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).