methyl 6-(cyclohexanecarbonylamino)hexanoate

C14H25NO3 — CID 43404565

IUPACmethyl 6-(cyclohexanecarbonylamino)hexanoate
SMILESCOC(=O)CCCCCNC(=O)C1CCCCC1
InChIInChI=1S/C14H25NO3/c1-18-13(16)10-6-3-7-11-15-14(17)12-8-4-2-5-9-12/h12H,2-11H2,1H3,(H,15,17)
InChIKeyNXIBSFGYSWHHKE-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.42
Rot. Bonds7

About methyl 6-(cyclohexanecarbonylamino)hexanoate

methyl 6-(cyclohexanecarbonylamino)hexanoate (PubChem CID 43404565) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is methyl 6-(cyclohexanecarbonylamino)hexanoate.

Molecular Properties

Compound Namemethyl 6-(cyclohexanecarbonylamino)hexanoate
PubChem CID43404565
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Namemethyl 6-(cyclohexanecarbonylamino)hexanoate
SMILESCOC(=O)CCCCCNC(=O)C1CCCCC1
InChIInChI=1S/C14H25NO3/c1-18-13(16)10-6-3-7-11-15-14(17)12-8-4-2-5-9-12/h12H,2-11H2,1H3,(H,15,17)
InChIKeyNXIBSFGYSWHHKE-UHFFFAOYSA-N
XLogP2.42
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 6-(piperidine-3-carbonylamino)hexanoate
CID 119269488
methyl 6-(bicyclo[4.1.0]heptane-7-carbonylamino)hexanoate
CID 79173602
methyl 6-[(1-acetylpiperidine-4-carbonyl)amino]hexanoate
CID 43404532
7-(cyclooctanecarbonylamino)heptanoic acid
CID 65019467
methyl 5-[[4-[(2-cyclohexylacetyl)amino]cyclohexanecarbonyl]amino]pentanoate
CID 60622944
6-(cyclobutanecarbonylamino)hexanoic acid
CID 16786054
methyl 6-(oxolane-2-carbonylamino)hexanoate
CID 43404498
N-(6-hydroxyhexyl)cyclopentanecarboxamide
CID 70973936
iodo 6-[(4-methylcyclohexanecarbonyl)amino]hexanoate
CID 144908622
N-(3-bromopropyl)cyclopentanecarboxamide
CID 43133630
methyl 4-[(3-aminocyclohexanecarbonyl)amino]butanoate;hydrochloride
CID 119684755
N-[12-(cyclohexylamino)dodecyl]cyclopentanecarboxamide
CID 146474949

Frequently Asked Questions

What is the IUPAC name of methyl 6-(cyclohexanecarbonylamino)hexanoate?
The IUPAC name of methyl 6-(cyclohexanecarbonylamino)hexanoate (CID 43404565) is methyl 6-(cyclohexanecarbonylamino)hexanoate.
What is the SMILES notation for methyl 6-(cyclohexanecarbonylamino)hexanoate?
The canonical SMILES for methyl 6-(cyclohexanecarbonylamino)hexanoate is COC(=O)CCCCCNC(=O)C1CCCCC1.
What is the InChIKey of methyl 6-(cyclohexanecarbonylamino)hexanoate?
The InChIKey is NXIBSFGYSWHHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-18-13(16)10-6-3-7-11-15-14(17)12-8-4-2-5-9-12/h12H,2-11H2,1H3,(H,15,17).
What are the key properties of methyl 6-(cyclohexanecarbonylamino)hexanoate?
methyl 6-(cyclohexanecarbonylamino)hexanoate has a molecular weight of 255.36 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(cyclohexanecarbonylamino)hexanoate is sourced from PubChem (CID 43404565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).