(2S)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide

C16H16N2O3 — CID 136757922

IUPAC(2S)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide
SMILESCO[C@H](C(=O)N/N=C\c1ccccc1O)c1ccccc1
InChIInChI=1S/C16H16N2O3/c1-21-15(12-7-3-2-4-8-12)16(20)18-17-11-13-9-5-6-10-14(13)19/h2-11,15,19H,1H3,(H,18,20)/b17-11-/t15-/m0/s1
InChIKeyUYCQVBUZGMSBAI-ZCQLHAAUSA-N
MW284.31 g/mol
LogP2.23
Rot. Bonds5

About (2S)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide

(2S)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide (PubChem CID 136757922) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is (2S)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide
PubChem CID136757922
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name(2S)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide
SMILESCO[C@H](C(=O)N/N=C\c1ccccc1O)c1ccccc1
InChIInChI=1S/C16H16N2O3/c1-21-15(12-7-3-2-4-8-12)16(20)18-17-11-13-9-5-6-10-14(13)19/h2-11,15,19H,1H3,(H,18,20)/b17-11-/t15-/m0/s1
InChIKeyUYCQVBUZGMSBAI-ZCQLHAAUSA-N
XLogP2.23
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.23
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'}

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Related Compounds

2-methoxy-N-[(E)-(2-methoxyphenyl)methylideneamino]-2-phenylacetamide
CID 5334215
(2S)-2-methoxy-2-phenyl-N-[(Z)-(2-propoxyphenyl)methylideneamino]acetamide
CID 7034098
(2R)-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide
CID 136909038
(2R)-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-phenylacetamide
CID 135674788
2-methoxy-2-phenyl-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 2851057
(2S)-N-[(Z)-(4-chlorophenyl)methylideneamino]-2-methoxy-2-phenylacetamide
CID 5414429
(2R)-2-methoxy-2-phenyl-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 5414338
(2S)-2-methoxy-N-[(Z)-(3-methylphenyl)methylideneamino]-2-phenylacetamide
CID 5410616
(2S)-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 135688184
(2S)-N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-methoxy-2-phenylacetamide
CID 137206870
2-methoxy-2-phenyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]acetamide
CID 6081951
2-methoxy-2-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 17389304

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide?
The IUPAC name of (2S)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide (CID 136757922) is (2S)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide.
What is the SMILES notation for (2S)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide?
The canonical SMILES for (2S)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide is CO[C@H](C(=O)N/N=C\c1ccccc1O)c1ccccc1.
What is the InChIKey of (2S)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide?
The InChIKey is UYCQVBUZGMSBAI-ZCQLHAAUSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-21-15(12-7-3-2-4-8-12)16(20)18-17-11-13-9-5-6-10-14(13)19/h2-11,15,19H,1H3,(H,18,20)/b17-11-/t15-/m0/s1.
What are the key properties of (2S)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide?
(2S)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide has a molecular weight of 284.31 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 136757922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).