N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]dodecanamide

C21H34N2O4 — CID 3519742

IUPACN-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]dodecanamide
SMILESCCCCCCCCCCCC(=O)NN=Cc1cc(OC)c(O)c(OC)c1
InChIInChI=1S/C21H34N2O4/c1-4-5-6-7-8-9-10-11-12-13-20(24)23-22-16-17-14-18(26-2)21(25)19(15-17)27-3/h14-16,25H,4-13H2,1-3H3,(H,23,24)
InChIKeyICYRNTWFVJNKFR-UHFFFAOYSA-N
MW378.51 g/mol
LogP4.78
Rot. Bonds14

About N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]dodecanamide

N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]dodecanamide (PubChem CID 3519742) has the molecular formula C21H34N2O4 and a molecular weight of 378.51 g/mol. Its IUPAC name is N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]dodecanamide.

Molecular Properties

Compound NameN-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]dodecanamide
PubChem CID3519742
Molecular FormulaC21H34N2O4
Molecular Weight378.51 g/mol
Exact Mass378.25
IUPAC NameN-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]dodecanamide
SMILESCCCCCCCCCCCC(=O)NN=Cc1cc(OC)c(O)c(OC)c1
InChIInChI=1S/C21H34N2O4/c1-4-5-6-7-8-9-10-11-12-13-20(24)23-22-16-17-14-18(26-2)21(25)19(15-17)27-3/h14-16,25H,4-13H2,1-3H3,(H,23,24)
InChIKeyICYRNTWFVJNKFR-UHFFFAOYSA-N
XLogP4.78
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.51
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

2-phenyl-N'-(3,4,5-trimethoxybenzylidene)acetohydrazide
CID 6894112
N'-[(E)-(2,3,4-trimethoxyphenyl)methylidene]cyclopropanecarbohydrazide
CID 5340371
N'-[(E)-1,3-benzodioxol-5-ylmethylidene]-3-(3,4-dihydroxyphenyl)propanehydrazide
CID 9625295
N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]oxamide
CID 135433201
N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidene]cyclopentanecarbohydrazide
CID 135647873
N-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 135735439
N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide
CID 135489099
3-phenyl-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]propanamide
CID 137290226
4-(4-hydroxyphenyl)-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]butanamide
CID 137290274
4-phenyl-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]butanamide
CID 137303077
5-phenyl-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]pentanamide
CID 137304401
3-(4-hydroxyphenyl)-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]propanamide
CID 137316490

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]dodecanamide?
The IUPAC name of N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]dodecanamide (CID 3519742) is N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]dodecanamide.
What is the SMILES notation for N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]dodecanamide?
The canonical SMILES for N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]dodecanamide is CCCCCCCCCCCC(=O)NN=Cc1cc(OC)c(O)c(OC)c1.
What is the InChIKey of N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]dodecanamide?
The InChIKey is ICYRNTWFVJNKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O4/c1-4-5-6-7-8-9-10-11-12-13-20(24)23-22-16-17-14-18(26-2)21(25)19(15-17)27-3/h14-16,25H,4-13H2,1-3H3,(H,23,24).
What are the key properties of N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]dodecanamide?
N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]dodecanamide has a molecular weight of 378.51 g/mol, XLogP of 4.78, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]dodecanamide is sourced from PubChem (CID 3519742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).