N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-methylbutanamide

C13H18N2O2 — CID 135799294

IUPACN-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-methylbutanamide
SMILESC/C(=N\NC(=O)CC(C)C)c1ccc(O)cc1
InChIInChI=1S/C13H18N2O2/c1-9(2)8-13(17)15-14-10(3)11-4-6-12(16)7-5-11/h4-7,9,16H,8H2,1-3H3,(H,15,17)/b14-10+
InChIKeyHLUMSPXHVVCKNY-GXDHUFHOSA-N
MW234.30 g/mol
LogP2.28
Rot. Bonds4

About N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-methylbutanamide

N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-methylbutanamide (PubChem CID 135799294) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-methylbutanamide.

Molecular Properties

Compound NameN-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-methylbutanamide
PubChem CID135799294
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-methylbutanamide
SMILESC/C(=N\NC(=O)CC(C)C)c1ccc(O)cc1
InChIInChI=1S/C13H18N2O2/c1-9(2)8-13(17)15-14-10(3)11-4-6-12(16)7-5-11/h4-7,9,16H,8H2,1-3H3,(H,15,17)/b14-10+
InChIKeyHLUMSPXHVVCKNY-GXDHUFHOSA-N
XLogP2.28
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

N-[1-(3,4-dimethylphenyl)ethylideneamino]-3-methylbutanamide
CID 5099857
N,N'-bis[(Z)-1-(4-hydroxyphenyl)ethylideneamino]nonanediamide
CID 136878224
N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]pentanamide
CID 135799262
N-[1-(2,4-dimethylphenyl)ethylideneamino]-3-methylbutanamide
CID 4132790
2-(4-fluorophenyl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 135472799
N-[4-[C-methyl-N-(3-methylbutanoylamino)carbonimidoyl]phenyl]thiophene-2-carboxamide
CID 4653766
2-(3-hydroxyphenyl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 135734295
N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 135609478
N'-[(E)-1-(4-hydroxyphenyl)ethylideneamino]oxamide
CID 135765562
2,4-dichloro-N-[4-[C-methyl-N-(3-methylbutanoylamino)carbonimidoyl]phenyl]benzamide
CID 4159256
ethyl N-[1-(4-hydroxyphenyl)ethylideneamino]carbamate
CID 2739255
N-[1-(4-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 914096

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-methylbutanamide?
The IUPAC name of N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-methylbutanamide (CID 135799294) is N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-methylbutanamide.
What is the SMILES notation for N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-methylbutanamide?
The canonical SMILES for N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-methylbutanamide is C/C(=N\NC(=O)CC(C)C)c1ccc(O)cc1.
What is the InChIKey of N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-methylbutanamide?
The InChIKey is HLUMSPXHVVCKNY-GXDHUFHOSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9(2)8-13(17)15-14-10(3)11-4-6-12(16)7-5-11/h4-7,9,16H,8H2,1-3H3,(H,15,17)/b14-10+.
What are the key properties of N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-methylbutanamide?
N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-methylbutanamide has a molecular weight of 234.30 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-methylbutanamide is sourced from PubChem (CID 135799294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).