4-anilino-N-[(Z)-(2-hydroxyphenyl)methylideneamino]butanamide

C17H19N3O2 — CID 136794094

IUPAC4-anilino-N-[(Z)-(2-hydroxyphenyl)methylideneamino]butanamide
SMILESO=C(CCCNc1ccccc1)N/N=C\c1ccccc1O
InChIInChI=1S/C17H19N3O2/c21-16-10-5-4-7-14(16)13-19-20-17(22)11-6-12-18-15-8-2-1-3-9-15/h1-5,7-10,13,18,21H,6,11-12H2,(H,20,22)/b19-13-
InChIKeyIBWAZBGNHZLHIO-UYRXBGFRSA-N
MW297.36 g/mol
LogP2.73
Rot. Bonds7

About 4-anilino-N-[(Z)-(2-hydroxyphenyl)methylideneamino]butanamide

4-anilino-N-[(Z)-(2-hydroxyphenyl)methylideneamino]butanamide (PubChem CID 136794094) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-anilino-N-[(Z)-(2-hydroxyphenyl)methylideneamino]butanamide.

Molecular Properties

Compound Name4-anilino-N-[(Z)-(2-hydroxyphenyl)methylideneamino]butanamide
PubChem CID136794094
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name4-anilino-N-[(Z)-(2-hydroxyphenyl)methylideneamino]butanamide
SMILESO=C(CCCNc1ccccc1)N/N=C\c1ccccc1O
InChIInChI=1S/C17H19N3O2/c21-16-10-5-4-7-14(16)13-19-20-17(22)11-6-12-18-15-8-2-1-3-9-15/h1-5,7-10,13,18,21H,6,11-12H2,(H,20,22)/b19-13-
InChIKeyIBWAZBGNHZLHIO-UYRXBGFRSA-N
XLogP2.73
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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[(E)-(2-hydroxyphenyl)methylideneamino]decanediamide
CID 135555032
N-[(E)-(2-hydroxyphenyl)methylideneamino]pentanamide
CID 135509646
N-[(2-hydroxyphenyl)methylideneamino]undecanamide
CID 5053269
N-[(2-hydroxyphenyl)methylideneamino]octanamide
CID 3393777
N-(benzylideneamino)-4-(4-methylanilino)butanamide
CID 3551130
N-(4-fluorophenyl)-N'-[(2-hydroxyphenyl)methylideneamino]butanediamide
CID 3766078
4-anilino-N-[(E)-(3-bromophenyl)methylideneamino]butanamide
CID 5331391
N-(4-bromophenyl)-N'-[(2-hydroxyphenyl)methylideneamino]butanediamide
CID 4530785
2-anilino-N-[(Z)-(2,3-dihydroxyphenyl)methylideneamino]acetamide
CID 136736930
N-[(Z)-(2-hydroxyphenyl)methylideneamino]undec-10-enamide
CID 136802207
3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropanoate
CID 135683195
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]amino]acetamide
CID 177478603

Frequently Asked Questions

What is the IUPAC name of 4-anilino-N-[(Z)-(2-hydroxyphenyl)methylideneamino]butanamide?
The IUPAC name of 4-anilino-N-[(Z)-(2-hydroxyphenyl)methylideneamino]butanamide (CID 136794094) is 4-anilino-N-[(Z)-(2-hydroxyphenyl)methylideneamino]butanamide.
What is the SMILES notation for 4-anilino-N-[(Z)-(2-hydroxyphenyl)methylideneamino]butanamide?
The canonical SMILES for 4-anilino-N-[(Z)-(2-hydroxyphenyl)methylideneamino]butanamide is O=C(CCCNc1ccccc1)N/N=C\c1ccccc1O.
What is the InChIKey of 4-anilino-N-[(Z)-(2-hydroxyphenyl)methylideneamino]butanamide?
The InChIKey is IBWAZBGNHZLHIO-UYRXBGFRSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-16-10-5-4-7-14(16)13-19-20-17(22)11-6-12-18-15-8-2-1-3-9-15/h1-5,7-10,13,18,21H,6,11-12H2,(H,20,22)/b19-13-.
What are the key properties of 4-anilino-N-[(Z)-(2-hydroxyphenyl)methylideneamino]butanamide?
4-anilino-N-[(Z)-(2-hydroxyphenyl)methylideneamino]butanamide has a molecular weight of 297.36 g/mol, XLogP of 2.73, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-N-[(Z)-(2-hydroxyphenyl)methylideneamino]butanamide is sourced from PubChem (CID 136794094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).