ethyl 1-(ethylamino)-3-(oxolan-2-ylmethoxy)cyclohexane-1-carboxylate

C16H29NO4 — CID 79634770

IUPACethyl 1-(ethylamino)-3-(oxolan-2-ylmethoxy)cyclohexane-1-carboxylate
SMILESCCNC1(C(=O)OCC)CCCC(OCC2CCCO2)C1
InChIInChI=1S/C16H29NO4/c1-3-17-16(15(18)19-4-2)9-5-7-13(11-16)21-12-14-8-6-10-20-14/h13-14,17H,3-12H2,1-2H3
InChIKeyFZSDHMSZMZLJNZ-UHFFFAOYSA-N
MW299.41 g/mol
LogP2.04
Rot. Bonds7

About ethyl 1-(ethylamino)-3-(oxolan-2-ylmethoxy)cyclohexane-1-carboxylate

ethyl 1-(ethylamino)-3-(oxolan-2-ylmethoxy)cyclohexane-1-carboxylate (PubChem CID 79634770) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is ethyl 1-(ethylamino)-3-(oxolan-2-ylmethoxy)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(ethylamino)-3-(oxolan-2-ylmethoxy)cyclohexane-1-carboxylate
PubChem CID79634770
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Nameethyl 1-(ethylamino)-3-(oxolan-2-ylmethoxy)cyclohexane-1-carboxylate
SMILESCCNC1(C(=O)OCC)CCCC(OCC2CCCO2)C1
InChIInChI=1S/C16H29NO4/c1-3-17-16(15(18)19-4-2)9-5-7-13(11-16)21-12-14-8-6-10-20-14/h13-14,17H,3-12H2,1-2H3
InChIKeyFZSDHMSZMZLJNZ-UHFFFAOYSA-N
XLogP2.04
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(ethylamino)-3-(oxolan-2-ylmethoxy)cyclohexane-1-carboxamide
CID 79638293
ethyl 3-(oxolan-2-ylmethoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79647207
ethyl 3-(3,3-dimethylbutoxy)-1-(ethylamino)cyclohexane-1-carboxylate
CID 79635563
ethyl 1-(oxolan-2-ylmethylamino)cycloheptane-1-carboxylate
CID 54890281
ethyl 1-(ethylamino)-3-methylsulfanylcyclohexane-1-carboxylate
CID 79634825
ethyl 1-(ethylamino)-3-hexoxycyclopentane-1-carboxylate
CID 79648423
ethyl 3-(2-cyclopropylethoxy)-1-(propylamino)cyclohexane-1-carboxylate
CID 106204218
ethyl 1-(ethylamino)-3-(3,3,3-trifluoropropoxy)cyclopentane-1-carboxylate
CID 82958552
ethyl 3-(oxolan-3-ylmethoxy)-1-(propylamino)cyclopentane-1-carboxylate
CID 79646705
ethyl 1-(ethylamino)-3-[methyl(2-methylbutan-2-yl)amino]cyclohexane-1-carboxylate
CID 79633705
ethyl 1-(ethylamino)-3-(2-methylpropylsulfanyl)cyclohexane-1-carboxylate
CID 79638188
ethyl 3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 79638229

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(ethylamino)-3-(oxolan-2-ylmethoxy)cyclohexane-1-carboxylate?
The IUPAC name of ethyl 1-(ethylamino)-3-(oxolan-2-ylmethoxy)cyclohexane-1-carboxylate (CID 79634770) is ethyl 1-(ethylamino)-3-(oxolan-2-ylmethoxy)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 1-(ethylamino)-3-(oxolan-2-ylmethoxy)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 1-(ethylamino)-3-(oxolan-2-ylmethoxy)cyclohexane-1-carboxylate is CCNC1(C(=O)OCC)CCCC(OCC2CCCO2)C1.
What is the InChIKey of ethyl 1-(ethylamino)-3-(oxolan-2-ylmethoxy)cyclohexane-1-carboxylate?
The InChIKey is FZSDHMSZMZLJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO4/c1-3-17-16(15(18)19-4-2)9-5-7-13(11-16)21-12-14-8-6-10-20-14/h13-14,17H,3-12H2,1-2H3.
What are the key properties of ethyl 1-(ethylamino)-3-(oxolan-2-ylmethoxy)cyclohexane-1-carboxylate?
ethyl 1-(ethylamino)-3-(oxolan-2-ylmethoxy)cyclohexane-1-carboxylate has a molecular weight of 299.41 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(ethylamino)-3-(oxolan-2-ylmethoxy)cyclohexane-1-carboxylate is sourced from PubChem (CID 79634770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).