3-cyclohexylimino-N-[4-(3-cyclohexyliminobutanoylamino)cyclohexyl]butanamide

C26H44N4O2 — CID 54169753

IUPAC3-cyclohexylimino-N-[4-(3-cyclohexyliminobutanoylamino)cyclohexyl]butanamide
SMILESC/C(CC(=O)NC1CCC(NC(=O)C/C(C)=N/C2CCCCC2)CC1)=N\C1CCCCC1
InChIInChI=1S/C26H44N4O2/c1-19(27-21-9-5-3-6-10-21)17-25(31)29-23-13-15-24(16-14-23)30-26(32)18-20(2)28-22-11-7-4-8-12-22/h21-24H,3-18H2,1-2H3,(H,29,31)(H,30,32)/b27-19+,28-20+
InChIKeyOUEJZXIGRMEHHG-MKYUKRCKSA-N
MW444.66 g/mol
LogP4.90
Rot. Bonds8

About 3-cyclohexylimino-N-[4-(3-cyclohexyliminobutanoylamino)cyclohexyl]butanamide

3-cyclohexylimino-N-[4-(3-cyclohexyliminobutanoylamino)cyclohexyl]butanamide (PubChem CID 54169753) has the molecular formula C26H44N4O2 and a molecular weight of 444.66 g/mol. Its IUPAC name is 3-cyclohexylimino-N-[4-(3-cyclohexyliminobutanoylamino)cyclohexyl]butanamide.

Molecular Properties

Compound Name3-cyclohexylimino-N-[4-(3-cyclohexyliminobutanoylamino)cyclohexyl]butanamide
PubChem CID54169753
Molecular FormulaC26H44N4O2
Molecular Weight444.66 g/mol
Exact Mass444.35
IUPAC Name3-cyclohexylimino-N-[4-(3-cyclohexyliminobutanoylamino)cyclohexyl]butanamide
SMILESC/C(CC(=O)NC1CCC(NC(=O)C/C(C)=N/C2CCCCC2)CC1)=N\C1CCCCC1
InChIInChI=1S/C26H44N4O2/c1-19(27-21-9-5-3-6-10-21)17-25(31)29-23-13-15-24(16-14-23)30-26(32)18-20(2)28-22-11-7-4-8-12-22/h21-24H,3-18H2,1-2H3,(H,29,31)(H,30,32)/b27-19+,28-20+
InChIKeyOUEJZXIGRMEHHG-MKYUKRCKSA-N
XLogP4.90
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.66
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-cyclohexylimino-N-[4-(3-cyclohexyliminobutanoylamino)cyclohexyl]butanamide with MolForge

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Related Compounds

N-cycloheptyl-N'-cyclopentylpropanediamide
CID 108942189
N-[(E)-[4-(cycloheptylamino)-4-oxobutan-2-ylidene]amino]cyclohexanecarboxamide
CID 17369175
N-cyclooctylpropanamide
CID 3387497
N-cyclodecylpropanamide
CID 122483649
N-cyclododecylpropanamide
CID 2784600
2-[acetyl(prop-2-enyl)amino]-N-cyclohexylacetamide
CID 84572779
N-[[4-(cyclooctylamino)-4-oxobutan-2-ylidene]amino]-3,5-dimethoxybenzamide
CID 2867599
tert-butyl N-[(E)-[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]carbamate
CID 6141635
N-cyclooctylbutanamide
CID 4614062
potassium;N-cyclohexylpropanamide;hydride
CID 173020790
3-(4-acetylpiperazin-1-yl)-N-cycloheptyl-3-oxopropanamide
CID 108944903
2-[acetyl(tert-butyl)amino]-N-cyclopropylacetamide
CID 113166055

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylimino-N-[4-(3-cyclohexyliminobutanoylamino)cyclohexyl]butanamide?
The IUPAC name of 3-cyclohexylimino-N-[4-(3-cyclohexyliminobutanoylamino)cyclohexyl]butanamide (CID 54169753) is 3-cyclohexylimino-N-[4-(3-cyclohexyliminobutanoylamino)cyclohexyl]butanamide.
What is the SMILES notation for 3-cyclohexylimino-N-[4-(3-cyclohexyliminobutanoylamino)cyclohexyl]butanamide?
The canonical SMILES for 3-cyclohexylimino-N-[4-(3-cyclohexyliminobutanoylamino)cyclohexyl]butanamide is C/C(CC(=O)NC1CCC(NC(=O)C/C(C)=N/C2CCCCC2)CC1)=N\C1CCCCC1.
What is the InChIKey of 3-cyclohexylimino-N-[4-(3-cyclohexyliminobutanoylamino)cyclohexyl]butanamide?
The InChIKey is OUEJZXIGRMEHHG-MKYUKRCKSA-N. The full InChI is InChI=1S/C26H44N4O2/c1-19(27-21-9-5-3-6-10-21)17-25(31)29-23-13-15-24(16-14-23)30-26(32)18-20(2)28-22-11-7-4-8-12-22/h21-24H,3-18H2,1-2H3,(H,29,31)(H,30,32)/b27-19+,28-20+.
What are the key properties of 3-cyclohexylimino-N-[4-(3-cyclohexyliminobutanoylamino)cyclohexyl]butanamide?
3-cyclohexylimino-N-[4-(3-cyclohexyliminobutanoylamino)cyclohexyl]butanamide has a molecular weight of 444.66 g/mol, XLogP of 4.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylimino-N-[4-(3-cyclohexyliminobutanoylamino)cyclohexyl]butanamide is sourced from PubChem (CID 54169753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).