N,N'-bis[(4-ethylcyclohexylidene)amino]butanediamide

C20H34N4O2 — CID 4149698

IUPACN,N'-bis[(4-ethylcyclohexylidene)amino]butanediamide
SMILESCCC1CCC(=NNC(=O)CCC(=O)NN=C2CCC(CC)CC2)CC1
InChIInChI=1S/C20H34N4O2/c1-3-15-5-9-17(10-6-15)21-23-19(25)13-14-20(26)24-22-18-11-7-16(4-2)8-12-18/h15-16H,3-14H2,1-2H3,(H,23,25)(H,24,26)/b21-17-,22-18-
InChIKeyUFCIQLCTQHUPRU-SVJWQLCWSA-N
MW362.52 g/mol
LogP3.91
Rot. Bonds7

About N,N'-bis[(4-ethylcyclohexylidene)amino]butanediamide

N,N'-bis[(4-ethylcyclohexylidene)amino]butanediamide (PubChem CID 4149698) has the molecular formula C20H34N4O2 and a molecular weight of 362.52 g/mol. Its IUPAC name is N,N'-bis[(4-ethylcyclohexylidene)amino]butanediamide.

Molecular Properties

Compound NameN,N'-bis[(4-ethylcyclohexylidene)amino]butanediamide
PubChem CID4149698
Molecular FormulaC20H34N4O2
Molecular Weight362.52 g/mol
Exact Mass362.27
IUPAC NameN,N'-bis[(4-ethylcyclohexylidene)amino]butanediamide
SMILESCCC1CCC(=NNC(=O)CCC(=O)NN=C2CCC(CC)CC2)CC1
InChIInChI=1S/C20H34N4O2/c1-3-15-5-9-17(10-6-15)21-23-19(25)13-14-20(26)24-22-18-11-7-16(4-2)8-12-18/h15-16H,3-14H2,1-2H3,(H,23,25)(H,24,26)/b21-17-,22-18-
InChIKeyUFCIQLCTQHUPRU-SVJWQLCWSA-N
XLogP3.91
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 53.91
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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Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(4-ethylcyclohexylidene)amino]butanediamide?
The IUPAC name of N,N'-bis[(4-ethylcyclohexylidene)amino]butanediamide (CID 4149698) is N,N'-bis[(4-ethylcyclohexylidene)amino]butanediamide.
What is the SMILES notation for N,N'-bis[(4-ethylcyclohexylidene)amino]butanediamide?
The canonical SMILES for N,N'-bis[(4-ethylcyclohexylidene)amino]butanediamide is CCC1CCC(=NNC(=O)CCC(=O)NN=C2CCC(CC)CC2)CC1.
What is the InChIKey of N,N'-bis[(4-ethylcyclohexylidene)amino]butanediamide?
The InChIKey is UFCIQLCTQHUPRU-SVJWQLCWSA-N. The full InChI is InChI=1S/C20H34N4O2/c1-3-15-5-9-17(10-6-15)21-23-19(25)13-14-20(26)24-22-18-11-7-16(4-2)8-12-18/h15-16H,3-14H2,1-2H3,(H,23,25)(H,24,26)/b21-17-,22-18-.
What are the key properties of N,N'-bis[(4-ethylcyclohexylidene)amino]butanediamide?
N,N'-bis[(4-ethylcyclohexylidene)amino]butanediamide has a molecular weight of 362.52 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(4-ethylcyclohexylidene)amino]butanediamide is sourced from PubChem (CID 4149698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).