pentyl 2-[cyclohexanecarbonyl(methyl)amino]acetate

C15H27NO3 — CID 91692156

IUPACpentyl 2-[cyclohexanecarbonyl(methyl)amino]acetate
SMILESCCCCCOC(=O)CN(C)C(=O)C1CCCCC1
InChIInChI=1S/C15H27NO3/c1-3-4-8-11-19-14(17)12-16(2)15(18)13-9-6-5-7-10-13/h13H,3-12H2,1-2H3
InChIKeyHAOTZMHTWYKLPU-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.76
Rot. Bonds7

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

pentyl 2-[cyclohexanecarbonyl(methyl)amino]acetate (PubChem CID 91692156) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is pentyl 2-[cyclohexanecarbonyl(methyl)amino]acetate.

Molecular Properties

Compound Namepentyl 2-[cyclohexanecarbonyl(methyl)amino]acetate
PubChem CID91692156
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Namepentyl 2-[cyclohexanecarbonyl(methyl)amino]acetate
SMILESCCCCCOC(=O)CN(C)C(=O)C1CCCCC1
InChIInChI=1S/C15H27NO3/c1-3-4-8-11-19-14(17)12-16(2)15(18)13-9-6-5-7-10-13/h13H,3-12H2,1-2H3
InChIKeyHAOTZMHTWYKLPU-UHFFFAOYSA-N
XLogP2.76
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.76
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 pentyl 2-[cyclohexanecarbonyl(methyl)amino]acetate?
The IUPAC name of pentyl 2-[cyclohexanecarbonyl(methyl)amino]acetate (CID 91692156) is pentyl 2-[cyclohexanecarbonyl(methyl)amino]acetate.
What is the SMILES notation for pentyl 2-[cyclohexanecarbonyl(methyl)amino]acetate?
The canonical SMILES for pentyl 2-[cyclohexanecarbonyl(methyl)amino]acetate is CCCCCOC(=O)CN(C)C(=O)C1CCCCC1.
What is the InChIKey of pentyl 2-[cyclohexanecarbonyl(methyl)amino]acetate?
The InChIKey is HAOTZMHTWYKLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-3-4-8-11-19-14(17)12-16(2)15(18)13-9-6-5-7-10-13/h13H,3-12H2,1-2H3.
What are the key properties of pentyl 2-[cyclohexanecarbonyl(methyl)amino]acetate?
pentyl 2-[cyclohexanecarbonyl(methyl)amino]acetate has a molecular weight of 269.38 g/mol, XLogP of 2.76, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 2-[cyclohexanecarbonyl(methyl)amino]acetate is sourced from PubChem (CID 91692156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).