nonyl 2-[cyclohexanecarbonyl(methyl)amino]acetate

C19H35NO3 — CID 91692160

IUPACnonyl 2-[cyclohexanecarbonyl(methyl)amino]acetate
SMILESCCCCCCCCCOC(=O)CN(C)C(=O)C1CCCCC1
InChIInChI=1S/C19H35NO3/c1-3-4-5-6-7-8-12-15-23-18(21)16-20(2)19(22)17-13-10-9-11-14-17/h17H,3-16H2,1-2H3
InChIKeyUMGABMVHSIHMLJ-UHFFFAOYSA-N
MW325.49 g/mol
LogP4.32
Rot. Bonds11

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

nonyl 2-[cyclohexanecarbonyl(methyl)amino]acetate (PubChem CID 91692160) has the molecular formula C19H35NO3 and a molecular weight of 325.49 g/mol. Its IUPAC name is nonyl 2-[cyclohexanecarbonyl(methyl)amino]acetate.

Molecular Properties

Compound Namenonyl 2-[cyclohexanecarbonyl(methyl)amino]acetate
PubChem CID91692160
Molecular FormulaC19H35NO3
Molecular Weight325.49 g/mol
Exact Mass325.26
IUPAC Namenonyl 2-[cyclohexanecarbonyl(methyl)amino]acetate
SMILESCCCCCCCCCOC(=O)CN(C)C(=O)C1CCCCC1
InChIInChI=1S/C19H35NO3/c1-3-4-5-6-7-8-12-15-23-18(21)16-20(2)19(22)17-13-10-9-11-14-17/h17H,3-16H2,1-2H3
InChIKeyUMGABMVHSIHMLJ-UHFFFAOYSA-N
XLogP4.32
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.49
LogP ≤ 54.32
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 nonyl 2-[cyclohexanecarbonyl(methyl)amino]acetate?
The IUPAC name of nonyl 2-[cyclohexanecarbonyl(methyl)amino]acetate (CID 91692160) is nonyl 2-[cyclohexanecarbonyl(methyl)amino]acetate.
What is the SMILES notation for nonyl 2-[cyclohexanecarbonyl(methyl)amino]acetate?
The canonical SMILES for nonyl 2-[cyclohexanecarbonyl(methyl)amino]acetate is CCCCCCCCCOC(=O)CN(C)C(=O)C1CCCCC1.
What is the InChIKey of nonyl 2-[cyclohexanecarbonyl(methyl)amino]acetate?
The InChIKey is UMGABMVHSIHMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO3/c1-3-4-5-6-7-8-12-15-23-18(21)16-20(2)19(22)17-13-10-9-11-14-17/h17H,3-16H2,1-2H3.
What are the key properties of nonyl 2-[cyclohexanecarbonyl(methyl)amino]acetate?
nonyl 2-[cyclohexanecarbonyl(methyl)amino]acetate has a molecular weight of 325.49 g/mol, XLogP of 4.32, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl 2-[cyclohexanecarbonyl(methyl)amino]acetate is sourced from PubChem (CID 91692160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).