N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]nonanamide

C17H26N2O3 — CID 135533696

IUPACN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]nonanamide
SMILESCCCCCCCCC(=O)N/N=C/c1cccc(OC)c1O
InChIInChI=1S/C17H26N2O3/c1-3-4-5-6-7-8-12-16(20)19-18-13-14-10-9-11-15(22-2)17(14)21/h9-11,13,21H,3-8,12H2,1-2H3,(H,19,20)/b18-13+
InChIKeyWWBZOUYWDQAGJN-QGOAFFKASA-N
MW306.41 g/mol
LogP3.60
Rot. Bonds10

About N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]nonanamide

N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]nonanamide (PubChem CID 135533696) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]nonanamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]nonanamide
PubChem CID135533696
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]nonanamide
SMILESCCCCCCCCC(=O)N/N=C/c1cccc(OC)c1O
InChIInChI=1S/C17H26N2O3/c1-3-4-5-6-7-8-12-16(20)19-18-13-14-10-9-11-15(22-2)17(14)21/h9-11,13,21H,3-8,12H2,1-2H3,(H,19,20)/b18-13+
InChIKeyWWBZOUYWDQAGJN-QGOAFFKASA-N
XLogP3.60
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(2-hydroxy-3-methoxyphenyl)methylideneamino]decanamide
CID 4127873
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]hexanamide
CID 135458849
N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]dodecanamide
CID 3536495
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]tetradecanamide
CID 51060988
3-ethoxy-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 135553938
2-(4-butoxyphenoxy)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136766975
N-[(2-hydroxyphenyl)methylideneamino]octanamide
CID 3393777
N-[(2-hydroxyphenyl)methylideneamino]undecanamide
CID 5053269
N-[(2,4,5-trimethoxyphenyl)methylideneamino]octanamide
CID 4657940
N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]pentanamide
CID 110506839
N-[(2,3,4-trimethoxyphenyl)methylideneamino]nonanamide
CID 4181503
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136766974

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]nonanamide?
The IUPAC name of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]nonanamide (CID 135533696) is N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]nonanamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]nonanamide?
The canonical SMILES for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]nonanamide is CCCCCCCCC(=O)N/N=C/c1cccc(OC)c1O.
What is the InChIKey of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]nonanamide?
The InChIKey is WWBZOUYWDQAGJN-QGOAFFKASA-N. The full InChI is InChI=1S/C17H26N2O3/c1-3-4-5-6-7-8-12-16(20)19-18-13-14-10-9-11-15(22-2)17(14)21/h9-11,13,21H,3-8,12H2,1-2H3,(H,19,20)/b18-13+.
What are the key properties of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]nonanamide?
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]nonanamide has a molecular weight of 306.41 g/mol, XLogP of 3.60, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]nonanamide is sourced from PubChem (CID 135533696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).