N'-[1-(4-hydroxyphenyl)propylideneamino]oxamide

C11H13N3O3 — CID 4645851

IUPACN'-[1-(4-hydroxyphenyl)propylideneamino]oxamide
SMILESCCC(=NNC(=O)C(N)=O)c1ccc(O)cc1
InChIInChI=1S/C11H13N3O3/c1-2-9(13-14-11(17)10(12)16)7-3-5-8(15)6-4-7/h3-6,15H,2H2,1H3,(H2,12,16)(H,14,17)
InChIKeyCZLBDCMWVHTSEF-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.11
Rot. Bonds3

About N'-[1-(4-hydroxyphenyl)propylideneamino]oxamide

N'-[1-(4-hydroxyphenyl)propylideneamino]oxamide (PubChem CID 4645851) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is N'-[1-(4-hydroxyphenyl)propylideneamino]oxamide.

Molecular Properties

Compound NameN'-[1-(4-hydroxyphenyl)propylideneamino]oxamide
PubChem CID4645851
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC NameN'-[1-(4-hydroxyphenyl)propylideneamino]oxamide
SMILESCCC(=NNC(=O)C(N)=O)c1ccc(O)cc1
InChIInChI=1S/C11H13N3O3/c1-2-9(13-14-11(17)10(12)16)7-3-5-8(15)6-4-7/h3-6,15H,2H2,1H3,(H2,12,16)(H,14,17)
InChIKeyCZLBDCMWVHTSEF-UHFFFAOYSA-N
XLogP0.11
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(E)-1-(4-methylphenyl)propylideneamino]oxamide
CID 6380385
N'-[(Z)-1-(4-fluorophenyl)propylideneamino]oxamide
CID 7612689
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]acetamide
CID 135720029
N'-[(E)-1-(4-hydroxyphenyl)ethylideneamino]oxamide
CID 135765562
N,N'-bis[(E)-1-(4-hydroxyphenyl)propylideneamino]hexanediamide
CID 135721513
4-hydroxy-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 4622646
4-ethyl-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide
CID 135673772
N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]-2,2-diphenylacetamide
CID 136831660
N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]hexanamide
CID 136716001
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]dodecanamide
CID 135704395
4-acetamido-N-[1-(4-hydroxyphenyl)propylideneamino]benzamide
CID 910379
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-1H-pyrrole-2-carboxamide
CID 135771089

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-hydroxyphenyl)propylideneamino]oxamide?
The IUPAC name of N'-[1-(4-hydroxyphenyl)propylideneamino]oxamide (CID 4645851) is N'-[1-(4-hydroxyphenyl)propylideneamino]oxamide.
What is the SMILES notation for N'-[1-(4-hydroxyphenyl)propylideneamino]oxamide?
The canonical SMILES for N'-[1-(4-hydroxyphenyl)propylideneamino]oxamide is CCC(=NNC(=O)C(N)=O)c1ccc(O)cc1.
What is the InChIKey of N'-[1-(4-hydroxyphenyl)propylideneamino]oxamide?
The InChIKey is CZLBDCMWVHTSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-2-9(13-14-11(17)10(12)16)7-3-5-8(15)6-4-7/h3-6,15H,2H2,1H3,(H2,12,16)(H,14,17).
What are the key properties of N'-[1-(4-hydroxyphenyl)propylideneamino]oxamide?
N'-[1-(4-hydroxyphenyl)propylideneamino]oxamide has a molecular weight of 235.24 g/mol, XLogP of 0.11, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-hydroxyphenyl)propylideneamino]oxamide is sourced from PubChem (CID 4645851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).