methyl 6-(cyclohexylcarbamoylamino)hexanoate

C14H26N2O3 — CID 43608139

IUPACmethyl 6-(cyclohexylcarbamoylamino)hexanoate
SMILESCOC(=O)CCCCCNC(=O)NC1CCCCC1
InChIInChI=1S/C14H26N2O3/c1-19-13(17)10-6-3-7-11-15-14(18)16-12-8-4-2-5-9-12/h12H,2-11H2,1H3,(H2,15,16,18)
InChIKeyWHXVJNIBTQCTJK-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.35
Rot. Bonds7

About methyl 6-(cyclohexylcarbamoylamino)hexanoate

methyl 6-(cyclohexylcarbamoylamino)hexanoate (PubChem CID 43608139) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is methyl 6-(cyclohexylcarbamoylamino)hexanoate.

Molecular Properties

Compound Namemethyl 6-(cyclohexylcarbamoylamino)hexanoate
PubChem CID43608139
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Namemethyl 6-(cyclohexylcarbamoylamino)hexanoate
SMILESCOC(=O)CCCCCNC(=O)NC1CCCCC1
InChIInChI=1S/C14H26N2O3/c1-19-13(17)10-6-3-7-11-15-14(18)16-12-8-4-2-5-9-12/h12H,2-11H2,1H3,(H2,15,16,18)
InChIKeyWHXVJNIBTQCTJK-UHFFFAOYSA-N
XLogP2.35
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.35
H-Bond Donors ≤ 52
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 methyl 6-(cyclohexylcarbamoylamino)hexanoate?
The IUPAC name of methyl 6-(cyclohexylcarbamoylamino)hexanoate (CID 43608139) is methyl 6-(cyclohexylcarbamoylamino)hexanoate.
What is the SMILES notation for methyl 6-(cyclohexylcarbamoylamino)hexanoate?
The canonical SMILES for methyl 6-(cyclohexylcarbamoylamino)hexanoate is COC(=O)CCCCCNC(=O)NC1CCCCC1.
What is the InChIKey of methyl 6-(cyclohexylcarbamoylamino)hexanoate?
The InChIKey is WHXVJNIBTQCTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-19-13(17)10-6-3-7-11-15-14(18)16-12-8-4-2-5-9-12/h12H,2-11H2,1H3,(H2,15,16,18).
What are the key properties of methyl 6-(cyclohexylcarbamoylamino)hexanoate?
methyl 6-(cyclohexylcarbamoylamino)hexanoate has a molecular weight of 270.37 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(cyclohexylcarbamoylamino)hexanoate is sourced from PubChem (CID 43608139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).