N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]dodecanamide

C23H39N3O2 — CID 4626456

IUPACN-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]dodecanamide
SMILESCCCCCCCCCCCC(=O)NN=Cc1ccc(N(CC)CC)cc1O
InChIInChI=1S/C23H39N3O2/c1-4-7-8-9-10-11-12-13-14-15-23(28)25-24-19-20-16-17-21(18-22(20)27)26(5-2)6-3/h16-19,27H,4-15H2,1-3H3,(H,25,28)
InChIKeyZDYWGVJWDSOKJU-UHFFFAOYSA-N
MW389.58 g/mol
LogP5.61
Rot. Bonds15

About N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]dodecanamide

N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]dodecanamide (PubChem CID 4626456) has the molecular formula C23H39N3O2 and a molecular weight of 389.58 g/mol. Its IUPAC name is N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]dodecanamide.

Molecular Properties

Compound NameN-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]dodecanamide
PubChem CID4626456
Molecular FormulaC23H39N3O2
Molecular Weight389.58 g/mol
Exact Mass389.30
IUPAC NameN-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]dodecanamide
SMILESCCCCCCCCCCCC(=O)NN=Cc1ccc(N(CC)CC)cc1O
InChIInChI=1S/C23H39N3O2/c1-4-7-8-9-10-11-12-13-14-15-23(28)25-24-19-20-16-17-21(18-22(20)27)26(5-2)6-3/h16-19,27H,4-15H2,1-3H3,(H,25,28)
InChIKeyZDYWGVJWDSOKJU-UHFFFAOYSA-N
XLogP5.61
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.58
LogP ≤ 55.61
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'}

Analyze N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]dodecanamide 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-[[4-(diethylamino)phenyl]methylideneamino]octanamide
CID 3333467
2-cyano-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
CID 2315436
N-[(2-hydroxyphenyl)methylideneamino]undecanamide
CID 5053269
N-[(2-hydroxyphenyl)methylideneamino]octanamide
CID 3393777
N-(2-chlorophenyl)-N'-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]butanediamide
CID 5241480
2-anilino-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
CID 135620274
4-(butanoylamino)-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide
CID 3370614
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-phenoxyacetamide
CID 135472449
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 135716815
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3,5-dihydroxybenzamide
CID 135472599
N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-fluorobenzamide
CID 135642474
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(2,6-dimethylanilino)acetamide
CID 135717450

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]dodecanamide?
The IUPAC name of N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]dodecanamide (CID 4626456) is N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]dodecanamide.
What is the SMILES notation for N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]dodecanamide?
The canonical SMILES for N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]dodecanamide is CCCCCCCCCCCC(=O)NN=Cc1ccc(N(CC)CC)cc1O.
What is the InChIKey of N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]dodecanamide?
The InChIKey is ZDYWGVJWDSOKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N3O2/c1-4-7-8-9-10-11-12-13-14-15-23(28)25-24-19-20-16-17-21(18-22(20)27)26(5-2)6-3/h16-19,27H,4-15H2,1-3H3,(H,25,28).
What are the key properties of N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]dodecanamide?
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]dodecanamide has a molecular weight of 389.58 g/mol, XLogP of 5.61, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]dodecanamide is sourced from PubChem (CID 4626456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).