N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2,2-dimethylpropanamide

C13H18N2O2 — CID 139180603

IUPACN-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2,2-dimethylpropanamide
SMILESCc1ccc(O)c(/C=N/NC(=O)C(C)(C)C)c1
InChIInChI=1S/C13H18N2O2/c1-9-5-6-11(16)10(7-9)8-14-15-12(17)13(2,3)4/h5-8,16H,1-4H3,(H,15,17)/b14-8+
InChIKeyPYZRNFXPAMWXHU-RIYZIHGNSA-N
MW234.30 g/mol
LogP2.20
Rot. Bonds2

About N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2,2-dimethylpropanamide

N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2,2-dimethylpropanamide (PubChem CID 139180603) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2,2-dimethylpropanamide
PubChem CID139180603
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2,2-dimethylpropanamide
SMILESCc1ccc(O)c(/C=N/NC(=O)C(C)(C)C)c1
InChIInChI=1S/C13H18N2O2/c1-9-5-6-11(16)10(7-9)8-14-15-12(17)13(2,3)4/h5-8,16H,1-4H3,(H,15,17)/b14-8+
InChIKeyPYZRNFXPAMWXHU-RIYZIHGNSA-N
XLogP2.20
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-[(2-hydroxy-5-methylphenyl)methylideneamino]-2,2-diphenylacetamide
CID 3317398
N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide
CID 135406892
4-chloro-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide
CID 135688213
2-hydroxy-N-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-2,2-diphenylacetamide
CID 136713953
2-(4-fluoroanilino)-N-[(Z)-(2-hydroxy-5-methylphenyl)methylideneamino]acetamide
CID 137168688
2,2-dimethyl-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]propanamide
CID 121263581
N-[(Z)-(2-hydroxy-5-methylphenyl)methylideneamino]pyridine-2-carboxamide
CID 136750100
N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-3,5-dinitrobenzamide
CID 135443110
N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-9H-xanthene-9-carboxamide
CID 135578951
N-[(2-hydroxy-5-methylphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 689528
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-(2,2-dimethylpropanoylamino)benzamide
CID 135606811
N-[(Z)-(2-hydroxy-5-methylphenyl)methylideneamino]-9H-xanthene-9-carboxamide
CID 135643720

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2,2-dimethylpropanamide?
The IUPAC name of N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2,2-dimethylpropanamide (CID 139180603) is N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2,2-dimethylpropanamide is Cc1ccc(O)c(/C=N/NC(=O)C(C)(C)C)c1.
What is the InChIKey of N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2,2-dimethylpropanamide?
The InChIKey is PYZRNFXPAMWXHU-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-5-6-11(16)10(7-9)8-14-15-12(17)13(2,3)4/h5-8,16H,1-4H3,(H,15,17)/b14-8+.
What are the key properties of N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2,2-dimethylpropanamide?
N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2,2-dimethylpropanamide has a molecular weight of 234.30 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2,2-dimethylpropanamide is sourced from PubChem (CID 139180603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).