3-hydroxy-2-[(4-methoxyphenyl)methylideneamino]-N-methylpropanamide

C12H16N2O3 — CID 76686566

IUPAC3-hydroxy-2-[(4-methoxyphenyl)methylideneamino]-N-methylpropanamide
SMILESCNC(=O)C(CO)/N=C/c1ccc(OC)cc1
InChIInChI=1S/C12H16N2O3/c1-13-12(16)11(8-15)14-7-9-3-5-10(17-2)6-4-9/h3-7,11,15H,8H2,1-2H3,(H,13,16)/b14-7+
InChIKeyWMPUCZGJFMJWTF-VGOFMYFVSA-N
MW236.27 g/mol
LogP0.22
Rot. Bonds5

About 3-hydroxy-2-[(4-methoxyphenyl)methylideneamino]-N-methylpropanamide

3-hydroxy-2-[(4-methoxyphenyl)methylideneamino]-N-methylpropanamide (PubChem CID 76686566) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-hydroxy-2-[(4-methoxyphenyl)methylideneamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-hydroxy-2-[(4-methoxyphenyl)methylideneamino]-N-methylpropanamide
PubChem CID76686566
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name3-hydroxy-2-[(4-methoxyphenyl)methylideneamino]-N-methylpropanamide
SMILESCNC(=O)C(CO)/N=C/c1ccc(OC)cc1
InChIInChI=1S/C12H16N2O3/c1-13-12(16)11(8-15)14-7-9-3-5-10(17-2)6-4-9/h3-7,11,15H,8H2,1-2H3,(H,13,16)/b14-7+
InChIKeyWMPUCZGJFMJWTF-VGOFMYFVSA-N
XLogP0.22
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-hydroxy-2-[(4-hydroxyphenyl)methylideneamino]-N-methylpropanamide
CID 135977524
methyl 2-[(4-methoxyphenyl)methylideneamino]propanoate
CID 13240768
methyl 2-[(4-chlorophenyl)methylideneamino]-3-hydroxypropanoate
CID 86171147
methyl (2S)-2-[(4-methoxyphenyl)methylideneamino]-3-methylbutanoate
CID 10377371
3,4,5,6-tetrahydroxy-2-[(4-methoxyphenyl)methylideneamino]hexanal
CID 19817378
(2S,3S,4R,5S)-3,4,5,6-tetrahydroxy-2-[(4-methoxyphenyl)methylideneamino]hexanal
CID 125473879
N-[(E)-(4-methoxyphenyl)methylideneamino]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]propanediamide
CID 44726282
ethyl 2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylideneamino]acetate
CID 101131689
(2R)-2-(4-methoxyanilino)-N-[(4-methoxyphenyl)methylideneamino]propanamide
CID 840626
N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]butanediamide
CID 6869271
(3R,4S,5R)-3,4,5,6-tetrahydroxy-N-[(4-methoxyphenyl)methylidene]hexanamide
CID 139626521
(E)-N-(1-methoxyethyl)-1-(4-methoxyphenyl)methanimine
CID 10465201

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(4-methoxyphenyl)methylideneamino]-N-methylpropanamide?
The IUPAC name of 3-hydroxy-2-[(4-methoxyphenyl)methylideneamino]-N-methylpropanamide (CID 76686566) is 3-hydroxy-2-[(4-methoxyphenyl)methylideneamino]-N-methylpropanamide.
What is the SMILES notation for 3-hydroxy-2-[(4-methoxyphenyl)methylideneamino]-N-methylpropanamide?
The canonical SMILES for 3-hydroxy-2-[(4-methoxyphenyl)methylideneamino]-N-methylpropanamide is CNC(=O)C(CO)/N=C/c1ccc(OC)cc1.
What is the InChIKey of 3-hydroxy-2-[(4-methoxyphenyl)methylideneamino]-N-methylpropanamide?
The InChIKey is WMPUCZGJFMJWTF-VGOFMYFVSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-13-12(16)11(8-15)14-7-9-3-5-10(17-2)6-4-9/h3-7,11,15H,8H2,1-2H3,(H,13,16)/b14-7+.
What are the key properties of 3-hydroxy-2-[(4-methoxyphenyl)methylideneamino]-N-methylpropanamide?
3-hydroxy-2-[(4-methoxyphenyl)methylideneamino]-N-methylpropanamide has a molecular weight of 236.27 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(4-methoxyphenyl)methylideneamino]-N-methylpropanamide is sourced from PubChem (CID 76686566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).