butyl 2-[cyclohexanecarbonyl(methyl)amino]acetate

C14H25NO3 — CID 91692155

IUPACbutyl 2-[cyclohexanecarbonyl(methyl)amino]acetate
SMILESCCCCOC(=O)CN(C)C(=O)C1CCCCC1
InChIInChI=1S/C14H25NO3/c1-3-4-10-18-13(16)11-15(2)14(17)12-8-6-5-7-9-12/h12H,3-11H2,1-2H3
InChIKeyGWCPHHFWKCSNBT-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.37
Rot. Bonds6

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

butyl 2-[cyclohexanecarbonyl(methyl)amino]acetate (PubChem CID 91692155) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is butyl 2-[cyclohexanecarbonyl(methyl)amino]acetate.

Molecular Properties

Compound Namebutyl 2-[cyclohexanecarbonyl(methyl)amino]acetate
PubChem CID91692155
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Namebutyl 2-[cyclohexanecarbonyl(methyl)amino]acetate
SMILESCCCCOC(=O)CN(C)C(=O)C1CCCCC1
InChIInChI=1S/C14H25NO3/c1-3-4-10-18-13(16)11-15(2)14(17)12-8-6-5-7-9-12/h12H,3-11H2,1-2H3
InChIKeyGWCPHHFWKCSNBT-UHFFFAOYSA-N
XLogP2.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.37
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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Related Compounds

ST089299
CID 344675
Methyl 2-(cyclohexylformamido)acetate
CID 558269
L-Proline, N-(cyclohexanecarbonyl)-, ethyl ester
CID 54979384
2-(N-methylcyclohexanecarboxamido)acetic acid
CID 16773468
L-Valine, N-cyclohexylcarbonyl-, methyl ester
CID 551725
Sarcosine, N-(3-cyclopentylpropionyl)-, ethyl ester
CID 55003289
Sarcosine, N-(cyclopentylcarbonyl)-, ethyl ester
CID 61597736
Sarcosine, n-hexanoyl-, isohexyl ester
CID 91692127
Sarcosine, N-valeryl-, isohexyl ester
CID 91692129
Sarcosine, N-(cyclopentylcarbonyl)-, propyl ester
CID 91692141
Sarcosine, N-(cyclopentylcarbonyl)-, pentyl ester
CID 91692142
Sarcosine, N-(cyclopentylcarbonyl)-, heptyl ester
CID 91692143

Frequently Asked Questions

What is the IUPAC name of butyl 2-[cyclohexanecarbonyl(methyl)amino]acetate?
The IUPAC name of butyl 2-[cyclohexanecarbonyl(methyl)amino]acetate (CID 91692155) is butyl 2-[cyclohexanecarbonyl(methyl)amino]acetate.
What is the SMILES notation for butyl 2-[cyclohexanecarbonyl(methyl)amino]acetate?
The canonical SMILES for butyl 2-[cyclohexanecarbonyl(methyl)amino]acetate is CCCCOC(=O)CN(C)C(=O)C1CCCCC1.
What is the InChIKey of butyl 2-[cyclohexanecarbonyl(methyl)amino]acetate?
The InChIKey is GWCPHHFWKCSNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-3-4-10-18-13(16)11-15(2)14(17)12-8-6-5-7-9-12/h12H,3-11H2,1-2H3.
What are the key properties of butyl 2-[cyclohexanecarbonyl(methyl)amino]acetate?
butyl 2-[cyclohexanecarbonyl(methyl)amino]acetate has a molecular weight of 255.36 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[cyclohexanecarbonyl(methyl)amino]acetate is sourced from PubChem (CID 91692155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).