(2R)-N-[(Z)-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide

C24H23IN2O4 — CID 126155865

IUPAC(2R)-N-[(Z)-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
SMILESCCOc1cc(/C=N\NC(=O)[C@H](O)c2ccccc2)cc(I)c1OCc1ccccc1
InChIInChI=1S/C24H23IN2O4/c1-2-30-21-14-18(13-20(25)23(21)31-16-17-9-5-3-6-10-17)15-26-27-24(29)22(28)19-11-7-4-8-12-19/h3-15,22,28H,2,16H2,1H3,(H,27,29)/b26-15-/t22-/m1/s1
InChIKeyKOUUVSIIXBVJLG-XLBQOGMNSA-N
MW530.36 g/mol
LogP4.45
Rot. Bonds9

About (2R)-N-[(Z)-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide

(2R)-N-[(Z)-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide (PubChem CID 126155865) has the molecular formula C24H23IN2O4 and a molecular weight of 530.36 g/mol. Its IUPAC name is (2R)-N-[(Z)-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-[(Z)-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
PubChem CID126155865
Molecular FormulaC24H23IN2O4
Molecular Weight530.36 g/mol
Exact Mass530.07
IUPAC Name(2R)-N-[(Z)-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
SMILESCCOc1cc(/C=N\NC(=O)[C@H](O)c2ccccc2)cc(I)c1OCc1ccccc1
InChIInChI=1S/C24H23IN2O4/c1-2-30-21-14-18(13-20(25)23(21)31-16-17-9-5-3-6-10-17)15-26-27-24(29)22(28)19-11-7-4-8-12-19/h3-15,22,28H,2,16H2,1H3,(H,27,29)/b26-15-/t22-/m1/s1
InChIKeyKOUUVSIIXBVJLG-XLBQOGMNSA-N
XLogP4.45
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.36
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

(2S)-N-[(Z)-[4-[(4-bromophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-hydroxy-2-phenylacetamide
CID 126147597
(2R)-N-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide
CID 126152996
(2S)-N-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 137138694
(2S)-N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 98531368
(2S)-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide
CID 126145973
5-bromo-N-[(Z)-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 126151980
N-[(E)-[3-bromo-4-[(4-bromophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2,2-diphenylacetamide
CID 126396799
N-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 21379985
N-[(E)-[4-[(4-bromophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-3-ethoxy-4-phenylmethoxybenzamide
CID 126324291
(2R)-2-hydroxy-2-phenyl-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 1368192
(2S)-N-[(Z)-[4-[(4-bromophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-2-[(4-iodophenyl)sulfonylamino]-3-phenylpropanamide
CID 126006571
N-[(Z)-[4-[(4-bromophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-2-naphthalen-1-ylacetamide
CID 126261909

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(Z)-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide?
The IUPAC name of (2R)-N-[(Z)-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide (CID 126155865) is (2R)-N-[(Z)-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for (2R)-N-[(Z)-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide?
The canonical SMILES for (2R)-N-[(Z)-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide is CCOc1cc(/C=N\NC(=O)[C@H](O)c2ccccc2)cc(I)c1OCc1ccccc1.
What is the InChIKey of (2R)-N-[(Z)-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide?
The InChIKey is KOUUVSIIXBVJLG-XLBQOGMNSA-N. The full InChI is InChI=1S/C24H23IN2O4/c1-2-30-21-14-18(13-20(25)23(21)31-16-17-9-5-3-6-10-17)15-26-27-24(29)22(28)19-11-7-4-8-12-19/h3-15,22,28H,2,16H2,1H3,(H,27,29)/b26-15-/t22-/m1/s1.
What are the key properties of (2R)-N-[(Z)-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide?
(2R)-N-[(Z)-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide has a molecular weight of 530.36 g/mol, XLogP of 4.45, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(Z)-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 126155865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).