diethyl 2-[cyclohexyl(methyl)amino]propanedioate

C14H25NO4 — CID 13251324

IUPACdiethyl 2-[cyclohexyl(methyl)amino]propanedioate
SMILESCCOC(=O)C(C(=O)OCC)N(C)C1CCCCC1
InChIInChI=1S/C14H25NO4/c1-4-18-13(16)12(14(17)19-5-2)15(3)11-9-7-6-8-10-11/h11-12H,4-10H2,1-3H3
InChIKeyBCEYKCJLYWQQHI-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.75
Rot. Bonds6

About diethyl 2-[cyclohexyl(methyl)amino]propanedioate

diethyl 2-[cyclohexyl(methyl)amino]propanedioate (PubChem CID 13251324) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is diethyl 2-[cyclohexyl(methyl)amino]propanedioate.

Molecular Properties

Compound Namediethyl 2-[cyclohexyl(methyl)amino]propanedioate
PubChem CID13251324
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Namediethyl 2-[cyclohexyl(methyl)amino]propanedioate
SMILESCCOC(=O)C(C(=O)OCC)N(C)C1CCCCC1
InChIInChI=1S/C14H25NO4/c1-4-18-13(16)12(14(17)19-5-2)15(3)11-9-7-6-8-10-11/h11-12H,4-10H2,1-3H3
InChIKeyBCEYKCJLYWQQHI-UHFFFAOYSA-N
XLogP1.75
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

CID 292519
CID 292519
CID 22200524
CID 22200524
CID 54114905
CID 54114905
CID 11833905
CID 11833905
CID 168021362
CID 168021362
CID 13493499
CID 13493499
CID 15744966
CID 15744966
CID 22743907
CID 22743907
CID 25420364
CID 25420364
CID 28878886
CID 28878886
CID 54021553
CID 54021553
CID 57180596
CID 57180596

Frequently Asked Questions

What is the IUPAC name of diethyl 2-[cyclohexyl(methyl)amino]propanedioate?
The IUPAC name of diethyl 2-[cyclohexyl(methyl)amino]propanedioate (CID 13251324) is diethyl 2-[cyclohexyl(methyl)amino]propanedioate.
What is the SMILES notation for diethyl 2-[cyclohexyl(methyl)amino]propanedioate?
The canonical SMILES for diethyl 2-[cyclohexyl(methyl)amino]propanedioate is CCOC(=O)C(C(=O)OCC)N(C)C1CCCCC1.
What is the InChIKey of diethyl 2-[cyclohexyl(methyl)amino]propanedioate?
The InChIKey is BCEYKCJLYWQQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-4-18-13(16)12(14(17)19-5-2)15(3)11-9-7-6-8-10-11/h11-12H,4-10H2,1-3H3.
What are the key properties of diethyl 2-[cyclohexyl(methyl)amino]propanedioate?
diethyl 2-[cyclohexyl(methyl)amino]propanedioate has a molecular weight of 271.36 g/mol, XLogP of 1.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[cyclohexyl(methyl)amino]propanedioate is sourced from PubChem (CID 13251324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).