2-hydroxy-N-(pentan-3-ylideneamino)-2-phenylacetamide

C13H18N2O2 — CID 3532425

IUPAC2-hydroxy-N-(pentan-3-ylideneamino)-2-phenylacetamide
SMILESCCC(CC)=NNC(=O)C(O)c1ccccc1
InChIInChI=1S/C13H18N2O2/c1-3-11(4-2)14-15-13(17)12(16)10-8-6-5-7-9-10/h5-9,12,16H,3-4H2,1-2H3,(H,15,17)
InChIKeyNADRSLMOECFGLO-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.01
Rot. Bonds5

About 2-hydroxy-N-(pentan-3-ylideneamino)-2-phenylacetamide

2-hydroxy-N-(pentan-3-ylideneamino)-2-phenylacetamide (PubChem CID 3532425) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-hydroxy-N-(pentan-3-ylideneamino)-2-phenylacetamide.

Molecular Properties

Compound Name2-hydroxy-N-(pentan-3-ylideneamino)-2-phenylacetamide
PubChem CID3532425
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-hydroxy-N-(pentan-3-ylideneamino)-2-phenylacetamide
SMILESCCC(CC)=NNC(=O)C(O)c1ccccc1
InChIInChI=1S/C13H18N2O2/c1-3-11(4-2)14-15-13(17)12(16)10-8-6-5-7-9-10/h5-9,12,16H,3-4H2,1-2H3,(H,15,17)
InChIKeyNADRSLMOECFGLO-UHFFFAOYSA-N
XLogP2.01
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.01
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

N-(pentan-3-ylideneamino)benzamide
CID 4611553
N-[(E)-heptan-3-ylideneamino]-2,2-diphenylacetamide
CID 54785044
(2S)-N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-hydroxy-2-phenylacetamide
CID 6345926
(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
(2S)-N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide
CID 6341466
N-butyl-2-hydroxy-2-phenylacetamide
CID 15353717
N-butan-2-yl-2-hydroxy-2-phenylacetamide
CID 60674876
2-hydroxy-N-[1-(5-methylfuran-2-yl)ethylideneamino]-2-phenylacetamide
CID 5013172
N-[(Z)-(4-ethylphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 6087706
(2R)-N-[(E)-dimethylaminomethylideneamino]-2-hydroxy-2-phenylacetamide
CID 92856892
N-[4-[(2-hydroxy-2-phenylacetyl)amino]phenyl]propanamide
CID 110895297

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(pentan-3-ylideneamino)-2-phenylacetamide?
The IUPAC name of 2-hydroxy-N-(pentan-3-ylideneamino)-2-phenylacetamide (CID 3532425) is 2-hydroxy-N-(pentan-3-ylideneamino)-2-phenylacetamide.
What is the SMILES notation for 2-hydroxy-N-(pentan-3-ylideneamino)-2-phenylacetamide?
The canonical SMILES for 2-hydroxy-N-(pentan-3-ylideneamino)-2-phenylacetamide is CCC(CC)=NNC(=O)C(O)c1ccccc1.
What is the InChIKey of 2-hydroxy-N-(pentan-3-ylideneamino)-2-phenylacetamide?
The InChIKey is NADRSLMOECFGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-3-11(4-2)14-15-13(17)12(16)10-8-6-5-7-9-10/h5-9,12,16H,3-4H2,1-2H3,(H,15,17).
What are the key properties of 2-hydroxy-N-(pentan-3-ylideneamino)-2-phenylacetamide?
2-hydroxy-N-(pentan-3-ylideneamino)-2-phenylacetamide has a molecular weight of 234.30 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(pentan-3-ylideneamino)-2-phenylacetamide is sourced from PubChem (CID 3532425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).