N,N'-bis[1-(4-propylphenyl)ethylideneamino]butanediamide

C26H34N4O2 — CID 4173019

IUPACN,N'-bis[1-(4-propylphenyl)ethylideneamino]butanediamide
SMILESCCCc1ccc(C(C)=NNC(=O)CCC(=O)NN=C(C)c2ccc(CCC)cc2)cc1
InChIInChI=1S/C26H34N4O2/c1-5-7-21-9-13-23(14-10-21)19(3)27-29-25(31)17-18-26(32)30-28-20(4)24-15-11-22(8-6-2)12-16-24/h9-16H,5-8,17-18H2,1-4H3,(H,29,31)(H,30,32)
InChIKeyYPXQGXLLDKSRJS-UHFFFAOYSA-N
MW434.58 g/mol
LogP4.75
Rot. Bonds11

About N,N'-bis[1-(4-propylphenyl)ethylideneamino]butanediamide

N,N'-bis[1-(4-propylphenyl)ethylideneamino]butanediamide (PubChem CID 4173019) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is N,N'-bis[1-(4-propylphenyl)ethylideneamino]butanediamide.

Molecular Properties

Compound NameN,N'-bis[1-(4-propylphenyl)ethylideneamino]butanediamide
PubChem CID4173019
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC NameN,N'-bis[1-(4-propylphenyl)ethylideneamino]butanediamide
SMILESCCCc1ccc(C(C)=NNC(=O)CCC(=O)NN=C(C)c2ccc(CCC)cc2)cc1
InChIInChI=1S/C26H34N4O2/c1-5-7-21-9-13-23(14-10-21)19(3)27-29-25(31)17-18-26(32)30-28-20(4)24-15-11-22(8-6-2)12-16-24/h9-16H,5-8,17-18H2,1-4H3,(H,29,31)(H,30,32)
InChIKeyYPXQGXLLDKSRJS-UHFFFAOYSA-N
XLogP4.75
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-[(E)-1-(4-propylphenyl)ethylideneamino]acetamide
CID 6262359
methyl N-[1-(4-propylphenyl)ethylideneamino]carbamate
CID 5002814
N,N'-bis[1-(4-ethylphenyl)ethylideneamino]hexanediamide
CID 3720428
N-[1-(4-ethylphenyl)ethylideneamino]heptanamide
CID 3659452
N-[1-(4-ethylphenyl)ethylideneamino]nonanamide
CID 4685925
N,N'-bis[1-(4-chlorophenyl)ethylideneamino]butanediamide
CID 3140698
3,4-dimethyl-N-[(E)-1-(4-propylphenyl)ethylideneamino]benzamide
CID 19685204
N-[(Z)-1-phenylethylideneamino]-2-(4-propylphenoxy)acetamide
CID 6008008
N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]pentanamide
CID 135799262
2-(4-cyanophenoxy)-N-[(Z)-1-(4-propylphenyl)ethylideneamino]acetamide
CID 9316565
N-[(E)-1-(4-methoxyphenyl)ethylideneamino]butanamide
CID 17340092
3-methyl-N-[1-(4-propylphenyl)ethylideneamino]benzamide
CID 4218759

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[1-(4-propylphenyl)ethylideneamino]butanediamide?
The IUPAC name of N,N'-bis[1-(4-propylphenyl)ethylideneamino]butanediamide (CID 4173019) is N,N'-bis[1-(4-propylphenyl)ethylideneamino]butanediamide.
What is the SMILES notation for N,N'-bis[1-(4-propylphenyl)ethylideneamino]butanediamide?
The canonical SMILES for N,N'-bis[1-(4-propylphenyl)ethylideneamino]butanediamide is CCCc1ccc(C(C)=NNC(=O)CCC(=O)NN=C(C)c2ccc(CCC)cc2)cc1.
What is the InChIKey of N,N'-bis[1-(4-propylphenyl)ethylideneamino]butanediamide?
The InChIKey is YPXQGXLLDKSRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-5-7-21-9-13-23(14-10-21)19(3)27-29-25(31)17-18-26(32)30-28-20(4)24-15-11-22(8-6-2)12-16-24/h9-16H,5-8,17-18H2,1-4H3,(H,29,31)(H,30,32).
What are the key properties of N,N'-bis[1-(4-propylphenyl)ethylideneamino]butanediamide?
N,N'-bis[1-(4-propylphenyl)ethylideneamino]butanediamide has a molecular weight of 434.58 g/mol, XLogP of 4.75, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[1-(4-propylphenyl)ethylideneamino]butanediamide is sourced from PubChem (CID 4173019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).