N-[(E)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-N'-hydroxyheptanediamide

C17H31N3O3 — CID 44506967

IUPACN-[(E)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-N'-hydroxyheptanediamide
SMILESCC(C)=CCC[C@H](C)C/C=N/NC(=O)CCCCCC(=O)NO
InChIInChI=1S/C17H31N3O3/c1-14(2)8-7-9-15(3)12-13-18-19-16(21)10-5-4-6-11-17(22)20-23/h8,13,15,23H,4-7,9-12H2,1-3H3,(H,19,21)(H,20,22)/b18-13+/t15-/m0/s1
InChIKeyJNVACYXHIOFZEU-VUODPORTSA-N
MW325.45 g/mol
LogP3.32
Rot. Bonds12

About N-[(E)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-N'-hydroxyheptanediamide

N-[(E)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-N'-hydroxyheptanediamide (PubChem CID 44506967) has the molecular formula C17H31N3O3 and a molecular weight of 325.45 g/mol. Its IUPAC name is N-[(E)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-N'-hydroxyheptanediamide.

Molecular Properties

Compound NameN-[(E)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-N'-hydroxyheptanediamide
PubChem CID44506967
Molecular FormulaC17H31N3O3
Molecular Weight325.45 g/mol
Exact Mass325.24
IUPAC NameN-[(E)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-N'-hydroxyheptanediamide
SMILESCC(C)=CCC[C@H](C)C/C=N/NC(=O)CCCCCC(=O)NO
InChIInChI=1S/C17H31N3O3/c1-14(2)8-7-9-15(3)12-13-18-19-16(21)10-5-4-6-11-17(22)20-23/h8,13,15,23H,4-7,9-12H2,1-3H3,(H,19,21)(H,20,22)/b18-13+/t15-/m0/s1
InChIKeyJNVACYXHIOFZEU-VUODPORTSA-N
XLogP3.32
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-[(2E)-2-[(3R)-3,7-dimethyloct-6-enylidene]hydrazinyl]-7-oxoheptanoic acid
CID 23920303
7-[(2E)-2-[(3S)-3,7-dimethyloct-6-enylidene]hydrazinyl]-7-oxoheptanoic acid
CID 24113940
N-[(E)-cyclohexen-1-ylmethylideneamino]-N'-hydroxyhexanediamide
CID 44506465
N'-hydroxy-N-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethylideneamino]hexanediamide
CID 44506958
N'-hydroxy-N-[(E)-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]hexanediamide
CID 44507345
N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-N'-hydroxyhexanediamide
CID 44507761
N-[(E)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-N'-hydroxyhexanediamide
CID 44507762
N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-N'-hydroxyheptanediamide
CID 44507865
N'-hydroxy-N-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethylideneamino]heptanediamide
CID 44507880
N-[(E)-cyclohexen-1-ylmethylideneamino]-N'-hydroxyheptanediamide
CID 44507886
N-[(E)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-N'-hydroxyoctanediamide
CID 44507898
N-[(E)-cyclohexen-1-ylmethylideneamino]-N'-hydroxyoctanediamide
CID 44507916

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-N'-hydroxyheptanediamide?
The IUPAC name of N-[(E)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-N'-hydroxyheptanediamide (CID 44506967) is N-[(E)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-N'-hydroxyheptanediamide.
What is the SMILES notation for N-[(E)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-N'-hydroxyheptanediamide?
The canonical SMILES for N-[(E)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-N'-hydroxyheptanediamide is CC(C)=CCC[C@H](C)C/C=N/NC(=O)CCCCCC(=O)NO.
What is the InChIKey of N-[(E)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-N'-hydroxyheptanediamide?
The InChIKey is JNVACYXHIOFZEU-VUODPORTSA-N. The full InChI is InChI=1S/C17H31N3O3/c1-14(2)8-7-9-15(3)12-13-18-19-16(21)10-5-4-6-11-17(22)20-23/h8,13,15,23H,4-7,9-12H2,1-3H3,(H,19,21)(H,20,22)/b18-13+/t15-/m0/s1.
What are the key properties of N-[(E)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-N'-hydroxyheptanediamide?
N-[(E)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-N'-hydroxyheptanediamide has a molecular weight of 325.45 g/mol, XLogP of 3.32, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-N'-hydroxyheptanediamide is sourced from PubChem (CID 44506967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).