4-hydroxy-N-[(Z)-(4-hydroxyphenyl)methylideneamino]butanamide

C11H14N2O3 — CID 136668789

IUPAC4-hydroxy-N-[(Z)-(4-hydroxyphenyl)methylideneamino]butanamide
SMILESO=C(CCCO)N/N=C\c1ccc(O)cc1
InChIInChI=1S/C11H14N2O3/c14-7-1-2-11(16)13-12-8-9-3-5-10(15)6-4-9/h3-6,8,14-15H,1-2,7H2,(H,13,16)/b12-8-
InChIKeyYUVUQDNABDRPNB-WQLSENKSSA-N
MW222.24 g/mol
LogP0.61
Rot. Bonds5

About 4-hydroxy-N-[(Z)-(4-hydroxyphenyl)methylideneamino]butanamide

4-hydroxy-N-[(Z)-(4-hydroxyphenyl)methylideneamino]butanamide (PubChem CID 136668789) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 4-hydroxy-N-[(Z)-(4-hydroxyphenyl)methylideneamino]butanamide.

Molecular Properties

Compound Name4-hydroxy-N-[(Z)-(4-hydroxyphenyl)methylideneamino]butanamide
PubChem CID136668789
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name4-hydroxy-N-[(Z)-(4-hydroxyphenyl)methylideneamino]butanamide
SMILESO=C(CCCO)N/N=C\c1ccc(O)cc1
InChIInChI=1S/C11H14N2O3/c14-7-1-2-11(16)13-12-8-9-3-5-10(15)6-4-9/h3-6,8,14-15H,1-2,7H2,(H,13,16)/b12-8-
InChIKeyYUVUQDNABDRPNB-WQLSENKSSA-N
XLogP0.61
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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,N'-bis[(Z)-(4-hydroxyphenyl)methylideneamino]butanediamide
CID 136704221
N-[(4-hydroxyphenyl)methylideneamino]pentanamide
CID 4590132
N'-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]octanediamide
CID 135883129
7-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-7-oxoheptanoic acid
CID 135777450
N-[(3,4-dihydroxyphenyl)methylideneamino]-4-hydroxybutanamide
CID 5021089
2-chloro-N-[(Z)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 136884201
1-[(Z)-(4-hydroxyphenyl)methylideneamino]-3-[(E)-(4-hydroxyphenyl)methylideneamino]urea
CID 135408538
N-[(E)-(4-iodophenyl)methylideneamino]-N'-[(Z)-(4-iodophenyl)methylideneamino]pentanediamide
CID 54610044
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-hydroxyphenyl)butanamide
CID 4245734
N,N'-bis[(4-chlorophenyl)methylideneamino]nonanediamide
CID 3703961
N,N'-bis[(4-bromophenyl)methylideneamino]heptanediamide
CID 3539768
N,N'-bis[(Z)-(4-fluorophenyl)methylideneamino]decanediamide
CID 6277081

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(Z)-(4-hydroxyphenyl)methylideneamino]butanamide?
The IUPAC name of 4-hydroxy-N-[(Z)-(4-hydroxyphenyl)methylideneamino]butanamide (CID 136668789) is 4-hydroxy-N-[(Z)-(4-hydroxyphenyl)methylideneamino]butanamide.
What is the SMILES notation for 4-hydroxy-N-[(Z)-(4-hydroxyphenyl)methylideneamino]butanamide?
The canonical SMILES for 4-hydroxy-N-[(Z)-(4-hydroxyphenyl)methylideneamino]butanamide is O=C(CCCO)N/N=C\c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-[(Z)-(4-hydroxyphenyl)methylideneamino]butanamide?
The InChIKey is YUVUQDNABDRPNB-WQLSENKSSA-N. The full InChI is InChI=1S/C11H14N2O3/c14-7-1-2-11(16)13-12-8-9-3-5-10(15)6-4-9/h3-6,8,14-15H,1-2,7H2,(H,13,16)/b12-8-.
What are the key properties of 4-hydroxy-N-[(Z)-(4-hydroxyphenyl)methylideneamino]butanamide?
4-hydroxy-N-[(Z)-(4-hydroxyphenyl)methylideneamino]butanamide has a molecular weight of 222.24 g/mol, XLogP of 0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(Z)-(4-hydroxyphenyl)methylideneamino]butanamide is sourced from PubChem (CID 136668789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).