(2R)-N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-hydroxypropanamide

C14H20N2O2 — CID 94833251

IUPAC(2R)-N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-hydroxypropanamide
SMILESC[C@@H](O)C(=O)N/N=C\c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H20N2O2/c1-10(17)13(18)16-15-9-11-5-7-12(8-6-11)14(2,3)4/h5-10,17H,1-4H3,(H,16,18)/b15-9-/t10-/m1/s1
InChIKeyCPMRGNKNJCEENE-XBDQXEDDSA-N
MW248.33 g/mol
LogP1.82
Rot. Bonds3

About (2R)-N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-hydroxypropanamide

(2R)-N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-hydroxypropanamide (PubChem CID 94833251) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (2R)-N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-hydroxypropanamide.

Molecular Properties

Compound Name(2R)-N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-hydroxypropanamide
PubChem CID94833251
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(2R)-N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-hydroxypropanamide
SMILESC[C@@H](O)C(=O)N/N=C\c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H20N2O2/c1-10(17)13(18)16-15-9-11-5-7-12(8-6-11)14(2,3)4/h5-10,17H,1-4H3,(H,16,18)/b15-9-/t10-/m1/s1
InChIKeyCPMRGNKNJCEENE-XBDQXEDDSA-N
XLogP1.82
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.82
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

4-tert-butyl-N-[(4-fluorophenyl)methylideneamino]benzamide
CID 679105
2-(4-tert-butylphenoxy)-N-[(E)-(4-propoxyphenyl)methylideneamino]propanamide
CID 19208717
N-[(4-tert-butylphenyl)methylideneamino]-2-hydroxybenzamide
CID 793892
(2R)-2-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 137172631
[4-[(Z)-[[(2R)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]phenyl] 4-tert-butylbenzoate
CID 7108196
1-[(4-tert-butylphenyl)methylideneamino]-3-methylthiourea
CID 3672540
2-(4-tert-butylphenoxy)-N-[(E)-(4-tert-butylphenyl)methylideneamino]acetamide
CID 19173269
N-[(E)-(4-tert-butylphenyl)methylideneamino]nonanamide
CID 6012632
(2S)-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 135688184
(2S)-2-hydroxy-N-[(Z)-(3-methoxyphenyl)methylideneamino]propanamide
CID 5413551
N'-[(E)-(4-tert-butylphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 21212825
2-(4-bromophenyl)-N-[(4-tert-butylphenyl)methylideneamino]acetamide
CID 3426300

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-hydroxypropanamide?
The IUPAC name of (2R)-N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-hydroxypropanamide (CID 94833251) is (2R)-N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-hydroxypropanamide.
What is the SMILES notation for (2R)-N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-hydroxypropanamide?
The canonical SMILES for (2R)-N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-hydroxypropanamide is C[C@@H](O)C(=O)N/N=C\c1ccc(C(C)(C)C)cc1.
What is the InChIKey of (2R)-N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-hydroxypropanamide?
The InChIKey is CPMRGNKNJCEENE-XBDQXEDDSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(17)13(18)16-15-9-11-5-7-12(8-6-11)14(2,3)4/h5-10,17H,1-4H3,(H,16,18)/b15-9-/t10-/m1/s1.
What are the key properties of (2R)-N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-hydroxypropanamide?
(2R)-N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-hydroxypropanamide has a molecular weight of 248.33 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-hydroxypropanamide is sourced from PubChem (CID 94833251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).