(2R)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-phenoxybutanamide

C17H18N2O3 — CID 136728520

IUPAC(2R)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-phenoxybutanamide
SMILESCC[C@@H](Oc1ccccc1)C(=O)N/N=C\c1ccccc1O
InChIInChI=1S/C17H18N2O3/c1-2-16(22-14-9-4-3-5-10-14)17(21)19-18-12-13-8-6-7-11-15(13)20/h3-12,16,20H,2H2,1H3,(H,19,21)/b18-12-/t16-/m1/s1
InChIKeyNWUWWLQUULGGGD-UWCCDQBKSA-N
MW298.34 g/mol
LogP2.70
Rot. Bonds6

About (2R)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-phenoxybutanamide

(2R)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-phenoxybutanamide (PubChem CID 136728520) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is (2R)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-phenoxybutanamide.

Molecular Properties

Compound Name(2R)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-phenoxybutanamide
PubChem CID136728520
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name(2R)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-phenoxybutanamide
SMILESCC[C@@H](Oc1ccccc1)C(=O)N/N=C\c1ccccc1O
InChIInChI=1S/C17H18N2O3/c1-2-16(22-14-9-4-3-5-10-14)17(21)19-18-12-13-8-6-7-11-15(13)20/h3-12,16,20H,2H2,1H3,(H,19,21)/b18-12-/t16-/m1/s1
InChIKeyNWUWWLQUULGGGD-UWCCDQBKSA-N
XLogP2.70
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.70
H-Bond Donors ≤ 52
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'}

Analyze (2R)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-phenoxybutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-hydroxyphenyl)methylideneamino]-2-(4-methoxyphenoxy)pentanamide
CID 3378119
(2R)-2-anilino-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide
CID 135764360
(2S)-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 135688184
(2S)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308795
(2R)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308793
(2S)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide
CID 136757922
4-butoxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 136762755
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 135472410
ethyl N-[(E)-(2-hydroxyphenyl)methylideneamino]carbamate
CID 135478857
(2R)-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-phenylacetamide
CID 135674788
(2R)-2-phenoxy-N-[4-[[(2S)-2-phenoxybutanoyl]amino]butyl]butanamide
CID 7449151
N-(2-methoxyethyl)-2-phenoxybutanamide
CID 2932914

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-phenoxybutanamide?
The IUPAC name of (2R)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-phenoxybutanamide (CID 136728520) is (2R)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-phenoxybutanamide.
What is the SMILES notation for (2R)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-phenoxybutanamide?
The canonical SMILES for (2R)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-phenoxybutanamide is CC[C@@H](Oc1ccccc1)C(=O)N/N=C\c1ccccc1O.
What is the InChIKey of (2R)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-phenoxybutanamide?
The InChIKey is NWUWWLQUULGGGD-UWCCDQBKSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-2-16(22-14-9-4-3-5-10-14)17(21)19-18-12-13-8-6-7-11-15(13)20/h3-12,16,20H,2H2,1H3,(H,19,21)/b18-12-/t16-/m1/s1.
What are the key properties of (2R)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-phenoxybutanamide?
(2R)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-phenoxybutanamide has a molecular weight of 298.34 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-phenoxybutanamide is sourced from PubChem (CID 136728520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).