N-[(2-hydroxy-5-nitrosophenyl)methylideneamino]hexanamide

C13H17N3O3 — CID 175194656

IUPACN-[(2-hydroxy-5-nitrosophenyl)methylideneamino]hexanamide
SMILESCCCCCC(=O)NN=Cc1cc(N=O)ccc1O
InChIInChI=1S/C13H17N3O3/c1-2-3-4-5-13(18)15-14-9-10-8-11(16-19)6-7-12(10)17/h6-9,17H,2-5H2,1H3,(H,15,18)
InChIKeyBHXUPMIIVVVHDQ-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.82
Rot. Bonds7

About N-[(2-hydroxy-5-nitrosophenyl)methylideneamino]hexanamide

N-[(2-hydroxy-5-nitrosophenyl)methylideneamino]hexanamide (PubChem CID 175194656) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-[(2-hydroxy-5-nitrosophenyl)methylideneamino]hexanamide.

Molecular Properties

Compound NameN-[(2-hydroxy-5-nitrosophenyl)methylideneamino]hexanamide
PubChem CID175194656
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-[(2-hydroxy-5-nitrosophenyl)methylideneamino]hexanamide
SMILESCCCCCC(=O)NN=Cc1cc(N=O)ccc1O
InChIInChI=1S/C13H17N3O3/c1-2-3-4-5-13(18)15-14-9-10-8-11(16-19)6-7-12(10)17/h6-9,17H,2-5H2,1H3,(H,15,18)
InChIKeyBHXUPMIIVVVHDQ-UHFFFAOYSA-N
XLogP2.82
TPSA91.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-[(5-bromo-2-hydroxyphenyl)methylideneamino]hexanamide
CID 3623985
N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]hexadecanamide
CID 136806672
N-[(2-hydroxyphenyl)methylideneamino]octanamide
CID 3393777
N-[(2-hydroxyphenyl)methylideneamino]undecanamide
CID 5053269
N-[(E)-(2-hydroxyphenyl)methylideneamino]pentanamide
CID 135509646
N-[(3,4-dihydroxyphenyl)methylideneamino]hexanamide
CID 2317832
N-[[5-bromo-3-[(E)-(heptanoylhydrazinylidene)methyl]-2-hydroxyphenyl]methylideneamino]heptanamide
CID 135684113
N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-N'-hydroxyhexanediamide
CID 135883068
N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-N'-hydroxyoctanediamide
CID 135922676
N-[2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide
CID 136719377
N-[[5-ethoxy-2-hydroxy-3-[(tridecanoylhydrazinylidene)methyl]phenyl]methylideneamino]tridecanamide
CID 4208648
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]dodecanamide
CID 4626456

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-5-nitrosophenyl)methylideneamino]hexanamide?
The IUPAC name of N-[(2-hydroxy-5-nitrosophenyl)methylideneamino]hexanamide (CID 175194656) is N-[(2-hydroxy-5-nitrosophenyl)methylideneamino]hexanamide.
What is the SMILES notation for N-[(2-hydroxy-5-nitrosophenyl)methylideneamino]hexanamide?
The canonical SMILES for N-[(2-hydroxy-5-nitrosophenyl)methylideneamino]hexanamide is CCCCCC(=O)NN=Cc1cc(N=O)ccc1O.
What is the InChIKey of N-[(2-hydroxy-5-nitrosophenyl)methylideneamino]hexanamide?
The InChIKey is BHXUPMIIVVVHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-2-3-4-5-13(18)15-14-9-10-8-11(16-19)6-7-12(10)17/h6-9,17H,2-5H2,1H3,(H,15,18).
What are the key properties of N-[(2-hydroxy-5-nitrosophenyl)methylideneamino]hexanamide?
N-[(2-hydroxy-5-nitrosophenyl)methylideneamino]hexanamide has a molecular weight of 263.30 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-5-nitrosophenyl)methylideneamino]hexanamide is sourced from PubChem (CID 175194656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).