ethyl 3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxylate

C15H29NO4 — CID 79638229

IUPACethyl 3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(NC(C)C)CCCC(OCCOC)C1
InChIInChI=1S/C15H29NO4/c1-5-19-14(17)15(16-12(2)3)8-6-7-13(11-15)20-10-9-18-4/h12-13,16H,5-11H2,1-4H3
InChIKeyDWTVWLXCKRYBOW-UHFFFAOYSA-N
MW287.40 g/mol
LogP1.89
Rot. Bonds8

About ethyl 3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxylate

ethyl 3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxylate (PubChem CID 79638229) has the molecular formula C15H29NO4 and a molecular weight of 287.40 g/mol. Its IUPAC name is ethyl 3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxylate
PubChem CID79638229
Molecular FormulaC15H29NO4
Molecular Weight287.40 g/mol
Exact Mass287.21
IUPAC Nameethyl 3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(NC(C)C)CCCC(OCCOC)C1
InChIInChI=1S/C15H29NO4/c1-5-19-14(17)15(16-12(2)3)8-6-7-13(11-15)20-10-9-18-4/h12-13,16H,5-11H2,1-4H3
InChIKeyDWTVWLXCKRYBOW-UHFFFAOYSA-N
XLogP1.89
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(2-methylpentoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 103284950
methyl 3-(2-cyclobutylethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 106204585
1-(propan-2-ylamino)-3-(2-propoxyethoxy)cyclohexane-1-carboxamide
CID 79638252
3-butoxy-1-(propan-2-ylamino)cyclohexane-1-carboxamide
CID 79637341
3-[2-(2-methoxyethoxy)ethoxy]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 104565358
1-(propan-2-ylamino)-3-(2-propan-2-yloxyethoxy)cyclohexane-1-carboxylic acid
CID 79637327
3-(2-cyclopropylethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxamide
CID 106204251
ethyl 3-(3,3-dimethylbutoxy)-1-(ethylamino)cyclohexane-1-carboxylate
CID 79635563
1-(ethylamino)-3-[2-(2-methoxyethoxy)ethoxy]cyclohexane-1-carboxamide
CID 104565261
methyl 3-pentoxy-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79648776
ethyl 3-[cyclopropyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 79636368
ethyl 3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 79636441

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxylate?
The IUPAC name of ethyl 3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxylate (CID 79638229) is ethyl 3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxylate is CCOC(=O)C1(NC(C)C)CCCC(OCCOC)C1.
What is the InChIKey of ethyl 3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxylate?
The InChIKey is DWTVWLXCKRYBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO4/c1-5-19-14(17)15(16-12(2)3)8-6-7-13(11-15)20-10-9-18-4/h12-13,16H,5-11H2,1-4H3.
What are the key properties of ethyl 3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxylate?
ethyl 3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxylate has a molecular weight of 287.40 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 79638229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).