N'-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-N-propan-2-yloxamide

C14H19N3O4 — CID 135575852

IUPACN'-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-N-propan-2-yloxamide
SMILESCOc1ccc(O)c(/C(C)=N/NC(=O)C(=O)NC(C)C)c1
InChIInChI=1S/C14H19N3O4/c1-8(2)15-13(19)14(20)17-16-9(3)11-7-10(21-4)5-6-12(11)18/h5-8,18H,1-4H3,(H,15,19)(H,17,20)/b16-9+
InChIKeyDVXBFBHPTDHCCQ-CXUHLZMHSA-N
MW293.32 g/mol
LogP0.77
Rot. Bonds4

About N'-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-N-propan-2-yloxamide

N'-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-N-propan-2-yloxamide (PubChem CID 135575852) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is N'-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-N-propan-2-yloxamide.

Molecular Properties

Compound NameN'-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-N-propan-2-yloxamide
PubChem CID135575852
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC NameN'-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-N-propan-2-yloxamide
SMILESCOc1ccc(O)c(/C(C)=N/NC(=O)C(=O)NC(C)C)c1
InChIInChI=1S/C14H19N3O4/c1-8(2)15-13(19)14(20)17-16-9(3)11-7-10(21-4)5-6-12(11)18/h5-8,18H,1-4H3,(H,15,19)(H,17,20)/b16-9+
InChIKeyDVXBFBHPTDHCCQ-CXUHLZMHSA-N
XLogP0.77
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', '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'-[(Z)-1-(3-methoxyphenyl)ethylideneamino]-N-propan-2-yloxamide
CID 9351520
1-[1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-3-methylthiourea
CID 3005303
N'-[(Z)-1-(2-methoxy-5-methylphenyl)ethylideneamino]-N-propan-2-yloxamide
CID 9352050
ethyl N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]carbamate
CID 135758776
N'-[(Z)-1-(2-methoxyphenyl)ethylideneamino]-N-propan-2-yloxamide
CID 9351436
N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]acetamide
CID 135767611
2-chloro-N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]benzamide
CID 135824437
4-chloro-N-[1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]benzamide
CID 137156329
N'-[1-(4-methoxyphenyl)propan-2-ylideneamino]-N-propan-2-yloxamide
CID 3873637
N'-[1-(2-hydroxyphenyl)ethylideneamino]-N-(4-methoxyphenyl)oxamide
CID 3527401
N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 135702556
4-bromo-N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-1H-pyrrole-2-carboxamide
CID 135846609

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-N-propan-2-yloxamide?
The IUPAC name of N'-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-N-propan-2-yloxamide (CID 135575852) is N'-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-N-propan-2-yloxamide.
What is the SMILES notation for N'-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-N-propan-2-yloxamide?
The canonical SMILES for N'-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-N-propan-2-yloxamide is COc1ccc(O)c(/C(C)=N/NC(=O)C(=O)NC(C)C)c1.
What is the InChIKey of N'-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-N-propan-2-yloxamide?
The InChIKey is DVXBFBHPTDHCCQ-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-8(2)15-13(19)14(20)17-16-9(3)11-7-10(21-4)5-6-12(11)18/h5-8,18H,1-4H3,(H,15,19)(H,17,20)/b16-9+.
What are the key properties of N'-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-N-propan-2-yloxamide?
N'-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-N-propan-2-yloxamide has a molecular weight of 293.32 g/mol, XLogP of 0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-N-propan-2-yloxamide is sourced from PubChem (CID 135575852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).