N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]decanamide

C18H28N2O3 — CID 4127873

IUPACN-[(2-hydroxy-3-methoxyphenyl)methylideneamino]decanamide
SMILESCCCCCCCCCC(=O)NN=Cc1cccc(OC)c1O
InChIInChI=1S/C18H28N2O3/c1-3-4-5-6-7-8-9-13-17(21)20-19-14-15-11-10-12-16(23-2)18(15)22/h10-12,14,22H,3-9,13H2,1-2H3,(H,20,21)
InChIKeyPCRDTUVZEVWRSA-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.99
Rot. Bonds11

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

N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]decanamide (PubChem CID 4127873) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]decanamide.

Molecular Properties

Compound NameN-[(2-hydroxy-3-methoxyphenyl)methylideneamino]decanamide
PubChem CID4127873
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-[(2-hydroxy-3-methoxyphenyl)methylideneamino]decanamide
SMILESCCCCCCCCCC(=O)NN=Cc1cccc(OC)c1O
InChIInChI=1S/C18H28N2O3/c1-3-4-5-6-7-8-9-13-17(21)20-19-14-15-11-10-12-16(23-2)18(15)22/h10-12,14,22H,3-9,13H2,1-2H3,(H,20,21)
InChIKeyPCRDTUVZEVWRSA-UHFFFAOYSA-N
XLogP3.99
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.99
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-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]nonanamide
CID 135533696
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-[(2-hydroxy-3-methoxyphenyl)methylideneamino]decanamide?
The IUPAC name of N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]decanamide (CID 4127873) is N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]decanamide.
What is the SMILES notation for N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]decanamide?
The canonical SMILES for N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]decanamide is CCCCCCCCCC(=O)NN=Cc1cccc(OC)c1O.
What is the InChIKey of N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]decanamide?
The InChIKey is PCRDTUVZEVWRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-3-4-5-6-7-8-9-13-17(21)20-19-14-15-11-10-12-16(23-2)18(15)22/h10-12,14,22H,3-9,13H2,1-2H3,(H,20,21).
What are the key properties of N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]decanamide?
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]decanamide has a molecular weight of 320.43 g/mol, XLogP of 3.99, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]decanamide is sourced from PubChem (CID 4127873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).