N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-methoxypropyl)oxamide

C14H19N3O5 — CID 135756952

IUPACN'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-methoxypropyl)oxamide
SMILESCOCCCNC(=O)C(=O)N/N=C/c1ccc(O)c(OC)c1
InChIInChI=1S/C14H19N3O5/c1-21-7-3-6-15-13(19)14(20)17-16-9-10-4-5-11(18)12(8-10)22-2/h4-5,8-9,18H,3,6-7H2,1-2H3,(H,15,19)(H,17,20)/b16-9+
InChIKeyXZTCKOMPQMUYCX-CXUHLZMHSA-N
MW309.32 g/mol
LogP0.00
Rot. Bonds7

About N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-methoxypropyl)oxamide

N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-methoxypropyl)oxamide (PubChem CID 135756952) has the molecular formula C14H19N3O5 and a molecular weight of 309.32 g/mol. Its IUPAC name is N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-methoxypropyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-methoxypropyl)oxamide
PubChem CID135756952
Molecular FormulaC14H19N3O5
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC NameN'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-methoxypropyl)oxamide
SMILESCOCCCNC(=O)C(=O)N/N=C/c1ccc(O)c(OC)c1
InChIInChI=1S/C14H19N3O5/c1-21-7-3-6-15-13(19)14(20)17-16-9-10-4-5-11(18)12(8-10)22-2/h4-5,8-9,18H,3,6-7H2,1-2H3,(H,15,19)(H,17,20)/b16-9+
InChIKeyXZTCKOMPQMUYCX-CXUHLZMHSA-N
XLogP0.00
TPSA109.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-butyl-N'-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 137085164
N'-[(Z)-(3-chloro-4-hydroxyphenyl)methylideneamino]-N-(3-methoxypropyl)oxamide
CID 137022001
N-(3-methoxypropyl)-N'-[(E)-(4-methylphenyl)methylideneamino]oxamide
CID 46741726
N,N'-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexanediamide
CID 4295517
N'-[(Z)-[4-[2-(4-chloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(3-methoxypropyl)oxamide
CID 126157404
1-(3-ethoxypropyl)-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]thiourea
CID 135817713
N-(3-methoxypropyl)-N'-[(E)-(4-methylsulfanylphenyl)methylideneamino]oxamide
CID 21212746
N-(3-methoxypropyl)-N'-[(Z)-(4-methylsulfanylphenyl)methylideneamino]oxamide
CID 40558004
1,3-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135458974
N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-propyloxamide
CID 5363155
N'-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3-methoxypropyl)oxamide
CID 137022000
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[2-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
CID 136503640

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-methoxypropyl)oxamide?
The IUPAC name of N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-methoxypropyl)oxamide (CID 135756952) is N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-methoxypropyl)oxamide.
What is the SMILES notation for N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-methoxypropyl)oxamide?
The canonical SMILES for N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-methoxypropyl)oxamide is COCCCNC(=O)C(=O)N/N=C/c1ccc(O)c(OC)c1.
What is the InChIKey of N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-methoxypropyl)oxamide?
The InChIKey is XZTCKOMPQMUYCX-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H19N3O5/c1-21-7-3-6-15-13(19)14(20)17-16-9-10-4-5-11(18)12(8-10)22-2/h4-5,8-9,18H,3,6-7H2,1-2H3,(H,15,19)(H,17,20)/b16-9+.
What are the key properties of N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-methoxypropyl)oxamide?
N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-methoxypropyl)oxamide has a molecular weight of 309.32 g/mol, XLogP of 0.00, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-methoxypropyl)oxamide is sourced from PubChem (CID 135756952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).