(2S)-N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide

C20H24N2O2 — CID 6341466

IUPAC(2S)-N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide
SMILESC/C(=N/NC(=O)[C@@H](O)c1ccccc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H24N2O2/c1-14(15-10-12-17(13-11-15)20(2,3)4)21-22-19(24)18(23)16-8-6-5-7-9-16/h5-13,18,23H,1-4H3,(H,22,24)/b21-14-/t18-/m0/s1
InChIKeySYWBIXGWYKLANE-SBGXLDQMSA-N
MW324.42 g/mol
LogP3.56
Rot. Bonds4

About (2S)-N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide

(2S)-N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide (PubChem CID 6341466) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (2S)-N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide
PubChem CID6341466
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(2S)-N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide
SMILESC/C(=N/NC(=O)[C@@H](O)c1ccccc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H24N2O2/c1-14(15-10-12-17(13-11-15)20(2,3)4)21-22-19(24)18(23)16-8-6-5-7-9-16/h5-13,18,23H,1-4H3,(H,22,24)/b21-14-/t18-/m0/s1
InChIKeySYWBIXGWYKLANE-SBGXLDQMSA-N
XLogP3.56
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide
CID 6940689
(2R)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide
CID 6948447
N-[1-(3-aminophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide
CID 4080719
(2S)-2-benzylsulfanyl-N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]propanamide
CID 7261508
N-[1-(4-fluorophenyl)ethylideneamino]-2,2-diphenylacetamide
CID 827608
N-[4-[(Z)-N-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
CID 40568661
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-4-fluorobenzamide
CID 6183873
4-tert-butyl-N-[4-[[1-(4-phenylphenyl)ethylideneamino]carbamoyl]phenyl]benzamide
CID 3370740
[1-(4-tert-butylphenyl)ethylideneamino]urea
CID 5041387
4-amino-N-[1-(4-tert-butylphenyl)ethylideneamino]benzamide
CID 3435127
2-hydroxy-N-[1-(5-methylfuran-2-yl)ethylideneamino]-2-phenylacetamide
CID 5013172
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]pyridine-4-carboxamide
CID 5394794

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide?
The IUPAC name of (2S)-N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide (CID 6341466) is (2S)-N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for (2S)-N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide?
The canonical SMILES for (2S)-N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide is C/C(=N/NC(=O)[C@@H](O)c1ccccc1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of (2S)-N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide?
The InChIKey is SYWBIXGWYKLANE-SBGXLDQMSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-14(15-10-12-17(13-11-15)20(2,3)4)21-22-19(24)18(23)16-8-6-5-7-9-16/h5-13,18,23H,1-4H3,(H,22,24)/b21-14-/t18-/m0/s1.
What are the key properties of (2S)-N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide?
(2S)-N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide has a molecular weight of 324.42 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 6341466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).