(4R)-4-(4-ethoxyphenyl)-4-hydroxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]butanamide

C26H28N2O4 — CID 96874114

IUPAC(4R)-4-(4-ethoxyphenyl)-4-hydroxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]butanamide
SMILESCCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C26H28N2O4/c1-2-31-23-14-10-22(11-15-23)25(29)16-17-26(30)28-27-18-20-8-12-24(13-9-20)32-19-21-6-4-3-5-7-21/h3-15,18,25,29H,2,16-17,19H2,1H3,(H,28,30)/b27-18-/t25-/m1/s1
InChIKeyPABYZRPXJGATLQ-JZXRGVEXSA-N
MW432.52 g/mol
LogP4.63
Rot. Bonds11

About (4R)-4-(4-ethoxyphenyl)-4-hydroxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]butanamide

(4R)-4-(4-ethoxyphenyl)-4-hydroxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]butanamide (PubChem CID 96874114) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is (4R)-4-(4-ethoxyphenyl)-4-hydroxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]butanamide.

Molecular Properties

Compound Name(4R)-4-(4-ethoxyphenyl)-4-hydroxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]butanamide
PubChem CID96874114
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC Name(4R)-4-(4-ethoxyphenyl)-4-hydroxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]butanamide
SMILESCCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C26H28N2O4/c1-2-31-23-14-10-22(11-15-23)25(29)16-17-26(30)28-27-18-20-8-12-24(13-9-20)32-19-21-6-4-3-5-7-21/h3-15,18,25,29H,2,16-17,19H2,1H3,(H,28,30)/b27-18-/t25-/m1/s1
InChIKeyPABYZRPXJGATLQ-JZXRGVEXSA-N
XLogP4.63
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4R)-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-(4-ethoxyphenyl)-4-hydroxybutanamide
CID 96874073
N,N'-bis[(4-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 3730577
(4R)-N-[(Z)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-(4-ethoxyphenyl)-4-hydroxybutanamide
CID 96873720
N-[(4-phenylmethoxyphenyl)methylideneamino]hexadecanamide
CID 3861652
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]dodecanamide
CID 6302563
(4R)-4-hydroxy-N-[(Z)-(4-methylphenyl)methylideneamino]-4-phenylbutanamide
CID 96886075
2-(4-phenylmethoxyphenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4259945
2-[2-oxo-2-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethoxy]-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 171157296
(4S)-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]-4-(4-ethoxyphenyl)-4-hydroxybutanamide
CID 96874001
(2R)-2-hydroxy-2-phenyl-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 1368192
(4R)-N-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]-4-(4-ethoxyphenyl)-4-hydroxybutanamide
CID 96874005
1-hydroxy-3-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]urea
CID 101171447

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-ethoxyphenyl)-4-hydroxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]butanamide?
The IUPAC name of (4R)-4-(4-ethoxyphenyl)-4-hydroxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]butanamide (CID 96874114) is (4R)-4-(4-ethoxyphenyl)-4-hydroxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]butanamide.
What is the SMILES notation for (4R)-4-(4-ethoxyphenyl)-4-hydroxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]butanamide?
The canonical SMILES for (4R)-4-(4-ethoxyphenyl)-4-hydroxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]butanamide is CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of (4R)-4-(4-ethoxyphenyl)-4-hydroxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]butanamide?
The InChIKey is PABYZRPXJGATLQ-JZXRGVEXSA-N. The full InChI is InChI=1S/C26H28N2O4/c1-2-31-23-14-10-22(11-15-23)25(29)16-17-26(30)28-27-18-20-8-12-24(13-9-20)32-19-21-6-4-3-5-7-21/h3-15,18,25,29H,2,16-17,19H2,1H3,(H,28,30)/b27-18-/t25-/m1/s1.
What are the key properties of (4R)-4-(4-ethoxyphenyl)-4-hydroxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]butanamide?
(4R)-4-(4-ethoxyphenyl)-4-hydroxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]butanamide has a molecular weight of 432.52 g/mol, XLogP of 4.63, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-ethoxyphenyl)-4-hydroxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]butanamide is sourced from PubChem (CID 96874114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).