3-cyclobutyl-N-[3-(1-cyclobutylidenehexylamino)propyl]propanamide

C20H36N2O — CID 166480001

IUPAC3-cyclobutyl-N-[3-(1-cyclobutylidenehexylamino)propyl]propanamide
SMILESCCCCCC(NCCCNC(=O)CCC1CCC1)=C1CCC1
InChIInChI=1S/C20H36N2O/c1-2-3-4-12-19(18-10-6-11-18)21-15-7-16-22-20(23)14-13-17-8-5-9-17/h17,21H,2-16H2,1H3,(H,22,23)
InChIKeyWKMDLWARLVIWSL-UHFFFAOYSA-N
MW320.52 g/mol
LogP4.68
Rot. Bonds12

About 3-cyclobutyl-N-[3-(1-cyclobutylidenehexylamino)propyl]propanamide

3-cyclobutyl-N-[3-(1-cyclobutylidenehexylamino)propyl]propanamide (PubChem CID 166480001) has the molecular formula C20H36N2O and a molecular weight of 320.52 g/mol. Its IUPAC name is 3-cyclobutyl-N-[3-(1-cyclobutylidenehexylamino)propyl]propanamide.

Molecular Properties

Compound Name3-cyclobutyl-N-[3-(1-cyclobutylidenehexylamino)propyl]propanamide
PubChem CID166480001
Molecular FormulaC20H36N2O
Molecular Weight320.52 g/mol
Exact Mass320.28
IUPAC Name3-cyclobutyl-N-[3-(1-cyclobutylidenehexylamino)propyl]propanamide
SMILESCCCCCC(NCCCNC(=O)CCC1CCC1)=C1CCC1
InChIInChI=1S/C20H36N2O/c1-2-3-4-12-19(18-10-6-11-18)21-15-7-16-22-20(23)14-13-17-8-5-9-17/h17,21H,2-16H2,1H3,(H,22,23)
InChIKeyWKMDLWARLVIWSL-UHFFFAOYSA-N
XLogP4.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.52
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-cyclohexyl-N-undecylpropanamide
CID 5146202
3-cyclopentyl-N-[7-(3-cyclopentylpropanoylamino)heptyl]propanamide
CID 5183874
6-(3-cyclopentylpropanoylamino)hexanoic acid
CID 16784943
3-cyclopentyl-N-[2-(propylamino)ethyl]propanamide
CID 62658625
7-(3-cyclopentylpropanoylamino)heptanoic acid
CID 24697400
N-[3-(triacontanoylamino)propyl]triacontanamide
CID 89373214
N-[2-(butylsulfonylamino)ethyl]-3-cyclohexylpropanamide
CID 108573890
3-cyclohexyl-N-(5-hydroxy-4-methylpentyl)propanamide
CID 113340801
N-(4-chloropentyl)-3-cyclopentylpropanamide
CID 106129653
N-[(3-chlorocyclohexyl)methyl]heptanamide
CID 106132379
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-tetradecyloctanamide
CID 151737522

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-N-[3-(1-cyclobutylidenehexylamino)propyl]propanamide?
The IUPAC name of 3-cyclobutyl-N-[3-(1-cyclobutylidenehexylamino)propyl]propanamide (CID 166480001) is 3-cyclobutyl-N-[3-(1-cyclobutylidenehexylamino)propyl]propanamide.
What is the SMILES notation for 3-cyclobutyl-N-[3-(1-cyclobutylidenehexylamino)propyl]propanamide?
The canonical SMILES for 3-cyclobutyl-N-[3-(1-cyclobutylidenehexylamino)propyl]propanamide is CCCCCC(NCCCNC(=O)CCC1CCC1)=C1CCC1.
What is the InChIKey of 3-cyclobutyl-N-[3-(1-cyclobutylidenehexylamino)propyl]propanamide?
The InChIKey is WKMDLWARLVIWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O/c1-2-3-4-12-19(18-10-6-11-18)21-15-7-16-22-20(23)14-13-17-8-5-9-17/h17,21H,2-16H2,1H3,(H,22,23).
What are the key properties of 3-cyclobutyl-N-[3-(1-cyclobutylidenehexylamino)propyl]propanamide?
3-cyclobutyl-N-[3-(1-cyclobutylidenehexylamino)propyl]propanamide has a molecular weight of 320.52 g/mol, XLogP of 4.68, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-N-[3-(1-cyclobutylidenehexylamino)propyl]propanamide is sourced from PubChem (CID 166480001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).