3-(1-ethoxypropan-2-yloxy)-1-(propan-2-ylamino)cyclohexane-1-carboxamide

C15H30N2O3 — CID 103489882

IUPAC3-(1-ethoxypropan-2-yloxy)-1-(propan-2-ylamino)cyclohexane-1-carboxamide
SMILESCCOCC(C)OC1CCCC(NC(C)C)(C(N)=O)C1
InChIInChI=1S/C15H30N2O3/c1-5-19-10-12(4)20-13-7-6-8-15(9-13,14(16)18)17-11(2)3/h11-13,17H,5-10H2,1-4H3,(H2,16,18)
InChIKeyLYQDCVINVAZREG-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.59
Rot. Bonds8

About 3-(1-ethoxypropan-2-yloxy)-1-(propan-2-ylamino)cyclohexane-1-carboxamide

3-(1-ethoxypropan-2-yloxy)-1-(propan-2-ylamino)cyclohexane-1-carboxamide (PubChem CID 103489882) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-(1-ethoxypropan-2-yloxy)-1-(propan-2-ylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-(1-ethoxypropan-2-yloxy)-1-(propan-2-ylamino)cyclohexane-1-carboxamide
PubChem CID103489882
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name3-(1-ethoxypropan-2-yloxy)-1-(propan-2-ylamino)cyclohexane-1-carboxamide
SMILESCCOCC(C)OC1CCCC(NC(C)C)(C(N)=O)C1
InChIInChI=1S/C15H30N2O3/c1-5-19-10-12(4)20-13-7-6-8-15(9-13,14(16)18)17-11(2)3/h11-13,17H,5-10H2,1-4H3,(H2,16,18)
InChIKeyLYQDCVINVAZREG-UHFFFAOYSA-N
XLogP1.59
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(1-ethoxypropan-2-yloxy)-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 103489804
1-amino-3-(1-ethoxypropan-2-yloxy)cyclohexane-1-carboxylic acid
CID 103489823
1-(propan-2-ylamino)-3-(2-propoxyethoxy)cyclohexane-1-carboxamide
CID 79638252
3-butoxy-1-(propan-2-ylamino)cyclohexane-1-carboxamide
CID 79637341
3-(1-ethoxypropan-2-yloxy)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 103489745
3-(2-cyclopropylethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxamide
CID 106204251
ethyl 1-(cyclopropylamino)-3-(1-ethoxypropan-2-yloxy)cyclopentane-1-carboxylate
CID 103489908
1-(ethylamino)-3-(1-methoxypropan-2-yloxy)cyclohexane-1-carboxylic acid
CID 79637650
3-hexoxy-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79649116
3-[2-(2-methoxyethoxy)ethoxy]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 104565358
3-(cyclopentylmethoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79653895
ethyl 3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 79638229

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxypropan-2-yloxy)-1-(propan-2-ylamino)cyclohexane-1-carboxamide?
The IUPAC name of 3-(1-ethoxypropan-2-yloxy)-1-(propan-2-ylamino)cyclohexane-1-carboxamide (CID 103489882) is 3-(1-ethoxypropan-2-yloxy)-1-(propan-2-ylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-(1-ethoxypropan-2-yloxy)-1-(propan-2-ylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 3-(1-ethoxypropan-2-yloxy)-1-(propan-2-ylamino)cyclohexane-1-carboxamide is CCOCC(C)OC1CCCC(NC(C)C)(C(N)=O)C1.
What is the InChIKey of 3-(1-ethoxypropan-2-yloxy)-1-(propan-2-ylamino)cyclohexane-1-carboxamide?
The InChIKey is LYQDCVINVAZREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-5-19-10-12(4)20-13-7-6-8-15(9-13,14(16)18)17-11(2)3/h11-13,17H,5-10H2,1-4H3,(H2,16,18).
What are the key properties of 3-(1-ethoxypropan-2-yloxy)-1-(propan-2-ylamino)cyclohexane-1-carboxamide?
3-(1-ethoxypropan-2-yloxy)-1-(propan-2-ylamino)cyclohexane-1-carboxamide has a molecular weight of 286.42 g/mol, XLogP of 1.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxypropan-2-yloxy)-1-(propan-2-ylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 103489882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).