(4R)-4-hydroxy-N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-4-phenylbutanamide

C15H15IN2O3 — CID 94833727

IUPAC(4R)-4-hydroxy-N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-4-phenylbutanamide
SMILESO=C(CC[C@@H](O)c1ccccc1)N/N=C\c1ccc(I)o1
InChIInChI=1S/C15H15IN2O3/c16-14-8-6-12(21-14)10-17-18-15(20)9-7-13(19)11-4-2-1-3-5-11/h1-6,8,10,13,19H,7,9H2,(H,18,20)/b17-10-/t13-/m1/s1
InChIKeyUGIAYHGUJXMIGO-OMJMQIJPSA-N
MW398.20 g/mol
LogP2.85
Rot. Bonds6

About (4R)-4-hydroxy-N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-4-phenylbutanamide

(4R)-4-hydroxy-N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-4-phenylbutanamide (PubChem CID 94833727) has the molecular formula C15H15IN2O3 and a molecular weight of 398.20 g/mol. Its IUPAC name is (4R)-4-hydroxy-N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-4-phenylbutanamide.

Molecular Properties

Compound Name(4R)-4-hydroxy-N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-4-phenylbutanamide
PubChem CID94833727
Molecular FormulaC15H15IN2O3
Molecular Weight398.20 g/mol
Exact Mass398.01
IUPAC Name(4R)-4-hydroxy-N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-4-phenylbutanamide
SMILESO=C(CC[C@@H](O)c1ccccc1)N/N=C\c1ccc(I)o1
InChIInChI=1S/C15H15IN2O3/c16-14-8-6-12(21-14)10-17-18-15(20)9-7-13(19)11-4-2-1-3-5-11/h1-6,8,10,13,19H,7,9H2,(H,18,20)/b17-10-/t13-/m1/s1
InChIKeyUGIAYHGUJXMIGO-OMJMQIJPSA-N
XLogP2.85
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.20
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4R)-4-hydroxy-N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-4-phenylbutanamide 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,N'-bis[(E)-(5-iodofuran-2-yl)methylideneamino]propanediamide
CID 44791034
(4R)-4-hydroxy-N-[(Z)-(4-methylphenyl)methylideneamino]-4-phenylbutanamide
CID 96886075
3-(4-benzhydrylpiperazin-1-yl)-N-[(E)-(5-iodofuran-2-yl)methylideneamino]propanamide
CID 146025204
(4S)-N-[(Z)-(3-bromophenyl)methylideneamino]-4-hydroxy-4-phenylbutanamide
CID 40650959
N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 51394008
(4R)-4-hydroxy-N-[(Z)-(2-nitrophenyl)methylideneamino]-4-phenylbutanamide
CID 94833743
(4S)-4-hydroxy-N-[(Z)-(3-iodo-4,5-dimethoxyphenyl)methylideneamino]-4-phenylbutanamide
CID 94833769
(4S)-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]-4-(4-ethoxyphenyl)-4-hydroxybutanamide
CID 96874001
N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-3-morpholin-4-ylpropanamide
CID 5439570
(4R)-N-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]-4-(4-ethoxyphenyl)-4-hydroxybutanamide
CID 96874005
(4S)-N-[(Z)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-4-hydroxy-4-phenylbutanamide
CID 94833779
2-amino-N-[(5-iodofuran-2-yl)methylideneamino]benzamide
CID 1355503

Frequently Asked Questions

What is the IUPAC name of (4R)-4-hydroxy-N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-4-phenylbutanamide?
The IUPAC name of (4R)-4-hydroxy-N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-4-phenylbutanamide (CID 94833727) is (4R)-4-hydroxy-N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-4-phenylbutanamide.
What is the SMILES notation for (4R)-4-hydroxy-N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-4-phenylbutanamide?
The canonical SMILES for (4R)-4-hydroxy-N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-4-phenylbutanamide is O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1ccc(I)o1.
What is the InChIKey of (4R)-4-hydroxy-N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-4-phenylbutanamide?
The InChIKey is UGIAYHGUJXMIGO-OMJMQIJPSA-N. The full InChI is InChI=1S/C15H15IN2O3/c16-14-8-6-12(21-14)10-17-18-15(20)9-7-13(19)11-4-2-1-3-5-11/h1-6,8,10,13,19H,7,9H2,(H,18,20)/b17-10-/t13-/m1/s1.
What are the key properties of (4R)-4-hydroxy-N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-4-phenylbutanamide?
(4R)-4-hydroxy-N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-4-phenylbutanamide has a molecular weight of 398.20 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-hydroxy-N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-4-phenylbutanamide is sourced from PubChem (CID 94833727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).