N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]octanediamide

C26H34N4O4 — CID 3411990

IUPACN,N'-bis[1-(4-methoxyphenyl)ethylideneamino]octanediamide
SMILESCOc1ccc(C(C)=NNC(=O)CCCCCCC(=O)NN=C(C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H34N4O4/c1-19(21-11-15-23(33-3)16-12-21)27-29-25(31)9-7-5-6-8-10-26(32)30-28-20(2)22-13-17-24(34-4)18-14-22/h11-18H,5-10H2,1-4H3,(H,29,31)(H,30,32)
InChIKeyVSUNNGRWERHGCJ-UHFFFAOYSA-N
MW466.58 g/mol
LogP4.43
Rot. Bonds13

About N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]octanediamide

N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]octanediamide (PubChem CID 3411990) has the molecular formula C26H34N4O4 and a molecular weight of 466.58 g/mol. Its IUPAC name is N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]octanediamide.

Molecular Properties

Compound NameN,N'-bis[1-(4-methoxyphenyl)ethylideneamino]octanediamide
PubChem CID3411990
Molecular FormulaC26H34N4O4
Molecular Weight466.58 g/mol
Exact Mass466.26
IUPAC NameN,N'-bis[1-(4-methoxyphenyl)ethylideneamino]octanediamide
SMILESCOc1ccc(C(C)=NNC(=O)CCCCCCC(=O)NN=C(C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H34N4O4/c1-19(21-11-15-23(33-3)16-12-21)27-29-25(31)9-7-5-6-8-10-26(32)30-28-20(2)22-13-17-24(34-4)18-14-22/h11-18H,5-10H2,1-4H3,(H,29,31)(H,30,32)
InChIKeyVSUNNGRWERHGCJ-UHFFFAOYSA-N
XLogP4.43
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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,N'-bis[1-(4-methoxyphenyl)ethylideneamino]octanediamide 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-[(E)-1-(4-methoxyphenyl)ethylideneamino]butanamide
CID 17340092
N,N'-bis[(Z)-1-(4-hydroxyphenyl)ethylideneamino]nonanediamide
CID 136878224
N-[1-(4-ethoxyphenyl)ethylideneamino]heptanamide
CID 3694468
N,N'-bis[1-(4-bromophenyl)ethylideneamino]heptanediamide
CID 4582452
N,N'-bis[1-(4-fluorophenyl)ethylideneamino]octanediamide
CID 4172268
N,N'-bis[1-(4-aminophenyl)ethylideneamino]octanediamide
CID 4586480
N,N'-bis[1-(3,4-dimethoxyphenyl)ethylideneamino]octanediamide
CID 5058567
N,N'-bis(1-phenylethylideneamino)octanediamide
CID 4517497
4-(4-methoxyanilino)-N-[(Z)-1-phenylethylideneamino]butanamide
CID 6380566
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-N',N'-diphenylbutanediamide
CID 6052542
N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]oxamide
CID 4100154
N,N'-bis[(Z)-1-naphthalen-2-ylethylideneamino]nonanediamide
CID 92652613

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]octanediamide?
The IUPAC name of N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]octanediamide (CID 3411990) is N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]octanediamide.
What is the SMILES notation for N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]octanediamide?
The canonical SMILES for N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]octanediamide is COc1ccc(C(C)=NNC(=O)CCCCCCC(=O)NN=C(C)c2ccc(OC)cc2)cc1.
What is the InChIKey of N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]octanediamide?
The InChIKey is VSUNNGRWERHGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O4/c1-19(21-11-15-23(33-3)16-12-21)27-29-25(31)9-7-5-6-8-10-26(32)30-28-20(2)22-13-17-24(34-4)18-14-22/h11-18H,5-10H2,1-4H3,(H,29,31)(H,30,32).
What are the key properties of N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]octanediamide?
N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]octanediamide has a molecular weight of 466.58 g/mol, XLogP of 4.43, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]octanediamide is sourced from PubChem (CID 3411990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).