(2R)-2-anilino-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]butanamide

C17H19N3O3 — CID 135764356

IUPAC(2R)-2-anilino-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]butanamide
SMILESCC[C@@H](Nc1ccccc1)C(=O)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C17H19N3O3/c1-2-15(19-13-6-4-3-5-7-13)17(23)20-18-11-12-8-9-14(21)10-16(12)22/h3-11,15,19,21-22H,2H2,1H3,(H,20,23)/b18-11+/t15-/m1/s1
InChIKeyWZTAEDKMFRFAME-CLXYIWAZSA-N
MW313.36 g/mol
LogP2.44
Rot. Bonds6

About (2R)-2-anilino-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]butanamide

(2R)-2-anilino-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]butanamide (PubChem CID 135764356) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is (2R)-2-anilino-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]butanamide.

Molecular Properties

Compound Name(2R)-2-anilino-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]butanamide
PubChem CID135764356
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name(2R)-2-anilino-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]butanamide
SMILESCC[C@@H](Nc1ccccc1)C(=O)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C17H19N3O3/c1-2-15(19-13-6-4-3-5-7-13)17(23)20-18-11-12-8-9-14(21)10-16(12)22/h3-11,15,19,21-22H,2H2,1H3,(H,20,23)/b18-11+/t15-/m1/s1
InChIKeyWZTAEDKMFRFAME-CLXYIWAZSA-N
XLogP2.44
TPSA93.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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

2-(4-bromoanilino)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]butanamide
CID 135614393
(2R)-2-anilino-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide
CID 135764360
(2R)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)butanamide
CID 135764507
2-(3-fluoroanilino)-N-[(5-fluoro-2-hydroxyphenyl)methylideneamino]butanamide
CID 168875853
2-anilino-N-[(5-bromo-2-methoxyphenyl)methylideneamino]butanamide
CID 3535801
1-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-phenylurea
CID 135490420
2-anilino-N-[(3-bromophenyl)methylideneamino]butanamide
CID 5206245
N-[(2,3-dihydroxyphenyl)methylideneamino]-2-(3-fluoroanilino)butanamide
CID 168875871
(2S)-2-anilino-N-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]butanamide
CID 135750371
(2S)-2-(4-bromoanilino)-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]butanamide
CID 136757862
(2R)-2-anilino-N-[(3,4-dimethoxyphenyl)methylideneamino]butanamide
CID 770506
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-chloroanilino)butanamide
CID 4151265

Frequently Asked Questions

What is the IUPAC name of (2R)-2-anilino-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]butanamide?
The IUPAC name of (2R)-2-anilino-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]butanamide (CID 135764356) is (2R)-2-anilino-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]butanamide.
What is the SMILES notation for (2R)-2-anilino-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]butanamide?
The canonical SMILES for (2R)-2-anilino-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]butanamide is CC[C@@H](Nc1ccccc1)C(=O)N/N=C/c1ccc(O)cc1O.
What is the InChIKey of (2R)-2-anilino-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]butanamide?
The InChIKey is WZTAEDKMFRFAME-CLXYIWAZSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-2-15(19-13-6-4-3-5-7-13)17(23)20-18-11-12-8-9-14(21)10-16(12)22/h3-11,15,19,21-22H,2H2,1H3,(H,20,23)/b18-11+/t15-/m1/s1.
What are the key properties of (2R)-2-anilino-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]butanamide?
(2R)-2-anilino-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]butanamide has a molecular weight of 313.36 g/mol, XLogP of 2.44, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-anilino-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]butanamide is sourced from PubChem (CID 135764356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).