hexyl 2-[cyclohexanecarbonyl(methyl)amino]acetate

C16H29NO3 — CID 91692157

IUPAChexyl 2-[cyclohexanecarbonyl(methyl)amino]acetate
SMILESCCCCCCOC(=O)CN(C)C(=O)C1CCCCC1
InChIInChI=1S/C16H29NO3/c1-3-4-5-9-12-20-15(18)13-17(2)16(19)14-10-7-6-8-11-14/h14H,3-13H2,1-2H3
InChIKeyBOKICPPAPUYHNM-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.15
Rot. Bonds8

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

hexyl 2-[cyclohexanecarbonyl(methyl)amino]acetate (PubChem CID 91692157) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is hexyl 2-[cyclohexanecarbonyl(methyl)amino]acetate.

Molecular Properties

Compound Namehexyl 2-[cyclohexanecarbonyl(methyl)amino]acetate
PubChem CID91692157
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Namehexyl 2-[cyclohexanecarbonyl(methyl)amino]acetate
SMILESCCCCCCOC(=O)CN(C)C(=O)C1CCCCC1
InChIInChI=1S/C16H29NO3/c1-3-4-5-9-12-20-15(18)13-17(2)16(19)14-10-7-6-8-11-14/h14H,3-13H2,1-2H3
InChIKeyBOKICPPAPUYHNM-UHFFFAOYSA-N
XLogP3.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.15
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 hexyl 2-[cyclohexanecarbonyl(methyl)amino]acetate?
The IUPAC name of hexyl 2-[cyclohexanecarbonyl(methyl)amino]acetate (CID 91692157) is hexyl 2-[cyclohexanecarbonyl(methyl)amino]acetate.
What is the SMILES notation for hexyl 2-[cyclohexanecarbonyl(methyl)amino]acetate?
The canonical SMILES for hexyl 2-[cyclohexanecarbonyl(methyl)amino]acetate is CCCCCCOC(=O)CN(C)C(=O)C1CCCCC1.
What is the InChIKey of hexyl 2-[cyclohexanecarbonyl(methyl)amino]acetate?
The InChIKey is BOKICPPAPUYHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-3-4-5-9-12-20-15(18)13-17(2)16(19)14-10-7-6-8-11-14/h14H,3-13H2,1-2H3.
What are the key properties of hexyl 2-[cyclohexanecarbonyl(methyl)amino]acetate?
hexyl 2-[cyclohexanecarbonyl(methyl)amino]acetate has a molecular weight of 283.41 g/mol, XLogP of 3.15, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl 2-[cyclohexanecarbonyl(methyl)amino]acetate is sourced from PubChem (CID 91692157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).