N-[[5-ethoxy-2-hydroxy-3-[(tridecanoylhydrazinylidene)methyl]phenyl]methylideneamino]tridecanamide

C36H62N4O4 — CID 4208648

IUPACN-[[5-ethoxy-2-hydroxy-3-[(tridecanoylhydrazinylidene)methyl]phenyl]methylideneamino]tridecanamide
SMILESCCCCCCCCCCCCC(=O)NN=Cc1cc(OCC)cc(C=NNC(=O)CCCCCCCCCCCC)c1O
InChIInChI=1S/C36H62N4O4/c1-4-7-9-11-13-15-17-19-21-23-25-34(41)39-37-29-31-27-33(44-6-3)28-32(36(31)43)30-38-40-35(42)26-24-22-20-18-16-14-12-10-8-5-2/h27-30,43H,4-26H2,1-3H3,(H,39,41)(H,40,42)
InChIKeyKMRGHMQBQZCQLK-UHFFFAOYSA-N
MW614.92 g/mol
LogP9.31
Rot. Bonds28

About N-[[5-ethoxy-2-hydroxy-3-[(tridecanoylhydrazinylidene)methyl]phenyl]methylideneamino]tridecanamide

N-[[5-ethoxy-2-hydroxy-3-[(tridecanoylhydrazinylidene)methyl]phenyl]methylideneamino]tridecanamide (PubChem CID 4208648) has the molecular formula C36H62N4O4 and a molecular weight of 614.92 g/mol. Its IUPAC name is N-[[5-ethoxy-2-hydroxy-3-[(tridecanoylhydrazinylidene)methyl]phenyl]methylideneamino]tridecanamide.

Molecular Properties

Compound NameN-[[5-ethoxy-2-hydroxy-3-[(tridecanoylhydrazinylidene)methyl]phenyl]methylideneamino]tridecanamide
PubChem CID4208648
Molecular FormulaC36H62N4O4
Molecular Weight614.92 g/mol
Exact Mass614.48
IUPAC NameN-[[5-ethoxy-2-hydroxy-3-[(tridecanoylhydrazinylidene)methyl]phenyl]methylideneamino]tridecanamide
SMILESCCCCCCCCCCCCC(=O)NN=Cc1cc(OCC)cc(C=NNC(=O)CCCCCCCCCCCC)c1O
InChIInChI=1S/C36H62N4O4/c1-4-7-9-11-13-15-17-19-21-23-25-34(41)39-37-29-31-27-33(44-6-3)28-32(36(31)43)30-38-40-35(42)26-24-22-20-18-16-14-12-10-8-5-2/h27-30,43H,4-26H2,1-3H3,(H,39,41)(H,40,42)
InChIKeyKMRGHMQBQZCQLK-UHFFFAOYSA-N
XLogP9.31
TPSA112.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds28
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.92
LogP ≤ 59.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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'}

Analyze N-[[5-ethoxy-2-hydroxy-3-[(tridecanoylhydrazinylidene)methyl]phenyl]methylideneamino]tridecanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-bromo-3-[(E)-(heptanoylhydrazinylidene)methyl]-2-hydroxyphenyl]methylideneamino]heptanamide
CID 135684113
N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]dodecanamide
CID 3536495
N-[(Z)-(4-ethoxyphenyl)methylideneamino]octadecanamide
CID 98296453
N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]hexadecanamide
CID 136806672
N-[[3-[(E)-(benzoylhydrazinylidene)methyl]-5-ethoxy-2-hydroxyphenyl]methylideneamino]benzamide
CID 135688471
N-[(Z)-(2-bromo-5-methoxyphenyl)methylideneamino]octadecanamide
CID 124632237
N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]pentanamide
CID 136712213
N-[(2-hydroxyphenyl)methylideneamino]undecanamide
CID 5053269
N-[(2-hydroxyphenyl)methylideneamino]octanamide
CID 3393777
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]undecanamide
CID 135684070
N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]tetradecanamide
CID 136676038
N-[(2,4,5-trimethoxyphenyl)methylideneamino]octanamide
CID 4657940

Frequently Asked Questions

What is the IUPAC name of N-[[5-ethoxy-2-hydroxy-3-[(tridecanoylhydrazinylidene)methyl]phenyl]methylideneamino]tridecanamide?
The IUPAC name of N-[[5-ethoxy-2-hydroxy-3-[(tridecanoylhydrazinylidene)methyl]phenyl]methylideneamino]tridecanamide (CID 4208648) is N-[[5-ethoxy-2-hydroxy-3-[(tridecanoylhydrazinylidene)methyl]phenyl]methylideneamino]tridecanamide.
What is the SMILES notation for N-[[5-ethoxy-2-hydroxy-3-[(tridecanoylhydrazinylidene)methyl]phenyl]methylideneamino]tridecanamide?
The canonical SMILES for N-[[5-ethoxy-2-hydroxy-3-[(tridecanoylhydrazinylidene)methyl]phenyl]methylideneamino]tridecanamide is CCCCCCCCCCCCC(=O)NN=Cc1cc(OCC)cc(C=NNC(=O)CCCCCCCCCCCC)c1O.
What is the InChIKey of N-[[5-ethoxy-2-hydroxy-3-[(tridecanoylhydrazinylidene)methyl]phenyl]methylideneamino]tridecanamide?
The InChIKey is KMRGHMQBQZCQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H62N4O4/c1-4-7-9-11-13-15-17-19-21-23-25-34(41)39-37-29-31-27-33(44-6-3)28-32(36(31)43)30-38-40-35(42)26-24-22-20-18-16-14-12-10-8-5-2/h27-30,43H,4-26H2,1-3H3,(H,39,41)(H,40,42).
What are the key properties of N-[[5-ethoxy-2-hydroxy-3-[(tridecanoylhydrazinylidene)methyl]phenyl]methylideneamino]tridecanamide?
N-[[5-ethoxy-2-hydroxy-3-[(tridecanoylhydrazinylidene)methyl]phenyl]methylideneamino]tridecanamide has a molecular weight of 614.92 g/mol, XLogP of 9.31, 28 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-ethoxy-2-hydroxy-3-[(tridecanoylhydrazinylidene)methyl]phenyl]methylideneamino]tridecanamide is sourced from PubChem (CID 4208648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).