(2S)-2-cyano-2-phenyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide

C23H19N3O2 — CID 126213918

IUPAC(2S)-2-cyano-2-phenyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
SMILESN#C[C@@H](C(=O)N/N=C\c1ccc(OCc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C23H19N3O2/c24-15-22(20-9-5-2-6-10-20)23(27)26-25-16-18-11-13-21(14-12-18)28-17-19-7-3-1-4-8-19/h1-14,16,22H,17H2,(H,26,27)/b25-16-/t22-/m1/s1
InChIKeyXUCVGWMKPRGVSK-SYANTJLKSA-N
MW369.42 g/mol
LogP4.02
Rot. Bonds7

About (2S)-2-cyano-2-phenyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide

(2S)-2-cyano-2-phenyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide (PubChem CID 126213918) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is (2S)-2-cyano-2-phenyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name(2S)-2-cyano-2-phenyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
PubChem CID126213918
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name(2S)-2-cyano-2-phenyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
SMILESN#C[C@@H](C(=O)N/N=C\c1ccc(OCc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C23H19N3O2/c24-15-22(20-9-5-2-6-10-20)23(27)26-25-16-18-11-13-21(14-12-18)28-17-19-7-3-1-4-8-19/h1-14,16,22H,17H2,(H,26,27)/b25-16-/t22-/m1/s1
InChIKeyXUCVGWMKPRGVSK-SYANTJLKSA-N
XLogP4.02
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(2R)-N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-cyano-2-phenylacetamide
CID 126204080
(2R)-2-cyano-N-[(Z)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 126201806
(2R)-2-hydroxy-2-phenyl-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 1368192
(2S)-N-[(Z)-(4-chlorophenyl)methylideneamino]-2-cyano-2-phenylacetamide
CID 126210762
(2R)-2-cyano-N-[(Z)-[4-[(4-cyanophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-phenylacetamide
CID 126204131
N,N'-bis[(4-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 3730577
1-hydroxy-3-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]urea
CID 101171447
2-(4-phenylmethoxyphenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4259945
(2S)-2-cyano-N-[(Z)-[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 126201818
N-[(4-hydroxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)propanamide
CID 4674531
2-[2-oxo-2-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethoxy]-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 171157296
N'-[(4-phenylmethoxyphenyl)methylideneamino]oxamide
CID 2692945

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyano-2-phenyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of (2S)-2-cyano-2-phenyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide (CID 126213918) is (2S)-2-cyano-2-phenyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for (2S)-2-cyano-2-phenyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for (2S)-2-cyano-2-phenyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide is N#C[C@@H](C(=O)N/N=C\c1ccc(OCc2ccccc2)cc1)c1ccccc1.
What is the InChIKey of (2S)-2-cyano-2-phenyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide?
The InChIKey is XUCVGWMKPRGVSK-SYANTJLKSA-N. The full InChI is InChI=1S/C23H19N3O2/c24-15-22(20-9-5-2-6-10-20)23(27)26-25-16-18-11-13-21(14-12-18)28-17-19-7-3-1-4-8-19/h1-14,16,22H,17H2,(H,26,27)/b25-16-/t22-/m1/s1.
What are the key properties of (2S)-2-cyano-2-phenyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide?
(2S)-2-cyano-2-phenyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide has a molecular weight of 369.42 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyano-2-phenyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 126213918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).