decyl 2-[cyclohexanecarbonyl(methyl)amino]acetate

C20H37NO3 — CID 91692161

IUPACdecyl 2-[cyclohexanecarbonyl(methyl)amino]acetate
SMILESCCCCCCCCCCOC(=O)CN(C)C(=O)C1CCCCC1
InChIInChI=1S/C20H37NO3/c1-3-4-5-6-7-8-9-13-16-24-19(22)17-21(2)20(23)18-14-11-10-12-15-18/h18H,3-17H2,1-2H3
InChIKeyIRLVLWDYOCMIKB-UHFFFAOYSA-N
MW339.52 g/mol
LogP4.71
Rot. Bonds12

About decyl 2-[cyclohexanecarbonyl(methyl)amino]acetate

decyl 2-[cyclohexanecarbonyl(methyl)amino]acetate (PubChem CID 91692161) has the molecular formula C20H37NO3 and a molecular weight of 339.52 g/mol. Its IUPAC name is decyl 2-[cyclohexanecarbonyl(methyl)amino]acetate.

Molecular Properties

Compound Namedecyl 2-[cyclohexanecarbonyl(methyl)amino]acetate
PubChem CID91692161
Molecular FormulaC20H37NO3
Molecular Weight339.52 g/mol
Exact Mass339.28
IUPAC Namedecyl 2-[cyclohexanecarbonyl(methyl)amino]acetate
SMILESCCCCCCCCCCOC(=O)CN(C)C(=O)C1CCCCC1
InChIInChI=1S/C20H37NO3/c1-3-4-5-6-7-8-9-13-16-24-19(22)17-21(2)20(23)18-14-11-10-12-15-18/h18H,3-17H2,1-2H3
InChIKeyIRLVLWDYOCMIKB-UHFFFAOYSA-N
XLogP4.71
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.52
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of decyl 2-[cyclohexanecarbonyl(methyl)amino]acetate?
The IUPAC name of decyl 2-[cyclohexanecarbonyl(methyl)amino]acetate (CID 91692161) is decyl 2-[cyclohexanecarbonyl(methyl)amino]acetate.
What is the SMILES notation for decyl 2-[cyclohexanecarbonyl(methyl)amino]acetate?
The canonical SMILES for decyl 2-[cyclohexanecarbonyl(methyl)amino]acetate is CCCCCCCCCCOC(=O)CN(C)C(=O)C1CCCCC1.
What is the InChIKey of decyl 2-[cyclohexanecarbonyl(methyl)amino]acetate?
The InChIKey is IRLVLWDYOCMIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO3/c1-3-4-5-6-7-8-9-13-16-24-19(22)17-21(2)20(23)18-14-11-10-12-15-18/h18H,3-17H2,1-2H3.
What are the key properties of decyl 2-[cyclohexanecarbonyl(methyl)amino]acetate?
decyl 2-[cyclohexanecarbonyl(methyl)amino]acetate has a molecular weight of 339.52 g/mol, XLogP of 4.71, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 2-[cyclohexanecarbonyl(methyl)amino]acetate is sourced from PubChem (CID 91692161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).