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

C15H21N3O5 — CID 44506453

IUPACN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N'-hydroxyhexanediamide
SMILESCOc1ccc(/C=N/NC(=O)CCCCC(=O)NO)cc1OC
InChIInChI=1S/C15H21N3O5/c1-22-12-8-7-11(9-13(12)23-2)10-16-17-14(19)5-3-4-6-15(20)18-21/h7-10,21H,3-6H2,1-2H3,(H,17,19)(H,18,20)/b16-10+
InChIKeyXNAASRXOYUOAEU-MHWRWJLKSA-N
MW323.35 g/mol
LogP1.22
Rot. Bonds9

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

N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N'-hydroxyhexanediamide (PubChem CID 44506453) has the molecular formula C15H21N3O5 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N'-hydroxyhexanediamide.

Molecular Properties

Compound NameN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N'-hydroxyhexanediamide
PubChem CID44506453
Molecular FormulaC15H21N3O5
Molecular Weight323.35 g/mol
Exact Mass323.15
IUPAC NameN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N'-hydroxyhexanediamide
SMILESCOc1ccc(/C=N/NC(=O)CCCCC(=O)NO)cc1OC
InChIInChI=1S/C15H21N3O5/c1-22-12-8-7-11(9-13(12)23-2)10-16-17-14(19)5-3-4-6-15(20)18-21/h7-10,21H,3-6H2,1-2H3,(H,17,19)(H,18,20)/b16-10+
InChIKeyXNAASRXOYUOAEU-MHWRWJLKSA-N
XLogP1.22
TPSA109.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', '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)-(3,4-dimethoxyphenyl)methylideneamino]pentanamide
CID 5381106
N,N'-bis[(3,4-dimethoxyphenyl)methylideneamino]propanediamide
CID 5144233
N,N'-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexanediamide
CID 4295517
N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]butanediamide
CID 6018005
[4-[[[6-[2-[[4-(4-bromobenzoyl)oxy-3-methoxyphenyl]methylidene]hydrazinyl]-6-oxohexanoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-bromobenzoate
CID 4631337
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-hydroxyhexanamide
CID 25004847
1-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-3-[(3,4-dimethoxyphenyl)methylideneamino]urea
CID 5355980
N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-N'-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]hexanediamide
CID 6152520
[(Z)-(3,4-dimethoxyphenyl)methylideneamino]urea
CID 5354158
8-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid
CID 135757722
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]-N'-hydroxyhexanediamide?
The IUPAC name of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N'-hydroxyhexanediamide (CID 44506453) is N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N'-hydroxyhexanediamide.
What is the SMILES notation for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N'-hydroxyhexanediamide?
The canonical SMILES for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N'-hydroxyhexanediamide is COc1ccc(/C=N/NC(=O)CCCCC(=O)NO)cc1OC.
What is the InChIKey of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N'-hydroxyhexanediamide?
The InChIKey is XNAASRXOYUOAEU-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H21N3O5/c1-22-12-8-7-11(9-13(12)23-2)10-16-17-14(19)5-3-4-6-15(20)18-21/h7-10,21H,3-6H2,1-2H3,(H,17,19)(H,18,20)/b16-10+.
What are the key properties of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N'-hydroxyhexanediamide?
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N'-hydroxyhexanediamide has a molecular weight of 323.35 g/mol, XLogP of 1.22, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N'-hydroxyhexanediamide is sourced from PubChem (CID 44506453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).