N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-hydroxyhexanamide

C15H22N2O4 — CID 25004847

IUPACN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-hydroxyhexanamide
SMILESCCC(O)CCC(=O)N/N=C/c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H22N2O4/c1-4-12(18)6-8-15(19)17-16-10-11-5-7-13(20-2)14(9-11)21-3/h5,7,9-10,12,18H,4,6,8H2,1-3H3,(H,17,19)/b16-10+
InChIKeyWXIZGSXALDOMNQ-MHWRWJLKSA-N
MW294.35 g/mol
LogP1.71
Rot. Bonds8

About N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-hydroxyhexanamide

N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-hydroxyhexanamide (PubChem CID 25004847) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-hydroxyhexanamide.

Molecular Properties

Compound NameN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-hydroxyhexanamide
PubChem CID25004847
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-hydroxyhexanamide
SMILESCCC(O)CCC(=O)N/N=C/c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H22N2O4/c1-4-12(18)6-8-15(19)17-16-10-11-5-7-13(20-2)14(9-11)21-3/h5,7,9-10,12,18H,4,6,8H2,1-3H3,(H,17,19)/b16-10+
InChIKeyWXIZGSXALDOMNQ-MHWRWJLKSA-N
XLogP1.71
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]pentanamide
CID 5381106
N,N'-bis[(3,4-dimethoxyphenyl)methylideneamino]propanediamide
CID 5144233
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N'-hydroxyhexanediamide
CID 44506453
N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]butanediamide
CID 6018005
4-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]pentanamide
CID 2828255
1-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-3-[(3,4-dimethoxyphenyl)methylideneamino]urea
CID 5355980
N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 6004946
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(4-fluorophenyl)acetamide
CID 124557656
[(Z)-(3,4-dimethoxyphenyl)methylideneamino]urea
CID 5354158
N,N'-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexanediamide
CID 4295517
N-[(3,4-dimethoxyphenyl)methylideneamino]-3-phenylsulfanylpropanamide
CID 5047472
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-(4-methylpiperazin-1-yl)propanamide
CID 6893322

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-hydroxyhexanamide?
The IUPAC name of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-hydroxyhexanamide (CID 25004847) is N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-hydroxyhexanamide.
What is the SMILES notation for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-hydroxyhexanamide?
The canonical SMILES for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-hydroxyhexanamide is CCC(O)CCC(=O)N/N=C/c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-hydroxyhexanamide?
The InChIKey is WXIZGSXALDOMNQ-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-4-12(18)6-8-15(19)17-16-10-11-5-7-13(20-2)14(9-11)21-3/h5,7,9-10,12,18H,4,6,8H2,1-3H3,(H,17,19)/b16-10+.
What are the key properties of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-hydroxyhexanamide?
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-hydroxyhexanamide has a molecular weight of 294.35 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-hydroxyhexanamide is sourced from PubChem (CID 25004847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).