(2R)-2-anilino-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide

C17H19N3O2 — CID 135764360

IUPAC(2R)-2-anilino-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide
SMILESCC[C@@H](Nc1ccccc1)C(=O)N/N=C/c1ccccc1O
InChIInChI=1S/C17H19N3O2/c1-2-15(19-14-9-4-3-5-10-14)17(22)20-18-12-13-8-6-7-11-16(13)21/h3-12,15,19,21H,2H2,1H3,(H,20,22)/b18-12+/t15-/m1/s1
InChIKeyPNIHSNIPYOHWOE-GYZOOYGHSA-N
MW297.36 g/mol
LogP2.73
Rot. Bonds6

About (2R)-2-anilino-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide

(2R)-2-anilino-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide (PubChem CID 135764360) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is (2R)-2-anilino-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide.

Molecular Properties

Compound Name(2R)-2-anilino-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide
PubChem CID135764360
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name(2R)-2-anilino-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide
SMILESCC[C@@H](Nc1ccccc1)C(=O)N/N=C/c1ccccc1O
InChIInChI=1S/C17H19N3O2/c1-2-15(19-14-9-4-3-5-10-14)17(22)20-18-12-13-8-6-7-11-16(13)21/h3-12,15,19,21H,2H2,1H3,(H,20,22)/b18-12+/t15-/m1/s1
InChIKeyPNIHSNIPYOHWOE-GYZOOYGHSA-N
XLogP2.73
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-anilino-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]butanamide
CID 135764356
2-(4-bromoanilino)-N-[(2-fluorophenyl)methylideneamino]butanamide
CID 3470743
2-(4-bromoanilino)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]butanamide
CID 135614393
2-(3-fluoroanilino)-N-[(5-fluoro-2-hydroxyphenyl)methylideneamino]butanamide
CID 168875853
2-anilino-N-[(5-bromo-2-methoxyphenyl)methylideneamino]butanamide
CID 3535801
N-[(2,3-dihydroxyphenyl)methylideneamino]-2-(3-fluoroanilino)butanamide
CID 168875871
2-(4-bromoanilino)-N-[(2-phenylmethoxyphenyl)methylideneamino]butanamide
CID 5168046
(2S)-N-[(2-fluorophenyl)methylideneamino]-2-(4-methoxyanilino)butanamide
CID 840598
(2S)-2-(4-bromoanilino)-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]butanamide
CID 136757862
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-chloroanilino)butanamide
CID 4151265
2-(4-bromoanilino)-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]butanamide
CID 3810139
2-(4-bromoanilino)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]butanamide
CID 135822355

Frequently Asked Questions

What is the IUPAC name of (2R)-2-anilino-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide?
The IUPAC name of (2R)-2-anilino-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide (CID 135764360) is (2R)-2-anilino-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide.
What is the SMILES notation for (2R)-2-anilino-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide?
The canonical SMILES for (2R)-2-anilino-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide is CC[C@@H](Nc1ccccc1)C(=O)N/N=C/c1ccccc1O.
What is the InChIKey of (2R)-2-anilino-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide?
The InChIKey is PNIHSNIPYOHWOE-GYZOOYGHSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-2-15(19-14-9-4-3-5-10-14)17(22)20-18-12-13-8-6-7-11-16(13)21/h3-12,15,19,21H,2H2,1H3,(H,20,22)/b18-12+/t15-/m1/s1.
What are the key properties of (2R)-2-anilino-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide?
(2R)-2-anilino-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide has a molecular weight of 297.36 g/mol, XLogP of 2.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-anilino-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide is sourced from PubChem (CID 135764360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).