1-(ethylamino)-3-[2-(2-methoxyethoxy)ethoxy]cyclohexane-1-carboxamide

C14H28N2O4 — CID 104565261

IUPAC1-(ethylamino)-3-[2-(2-methoxyethoxy)ethoxy]cyclohexane-1-carboxamide
SMILESCCNC1(C(N)=O)CCCC(OCCOCCOC)C1
InChIInChI=1S/C14H28N2O4/c1-3-16-14(13(15)17)6-4-5-12(11-14)20-10-9-19-8-7-18-2/h12,16H,3-11H2,1-2H3,(H2,15,17)
InChIKeyAYAPUCUSCQBOPK-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.44
Rot. Bonds10

About 1-(ethylamino)-3-[2-(2-methoxyethoxy)ethoxy]cyclohexane-1-carboxamide

1-(ethylamino)-3-[2-(2-methoxyethoxy)ethoxy]cyclohexane-1-carboxamide (PubChem CID 104565261) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(ethylamino)-3-[2-(2-methoxyethoxy)ethoxy]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(ethylamino)-3-[2-(2-methoxyethoxy)ethoxy]cyclohexane-1-carboxamide
PubChem CID104565261
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name1-(ethylamino)-3-[2-(2-methoxyethoxy)ethoxy]cyclohexane-1-carboxamide
SMILESCCNC1(C(N)=O)CCCC(OCCOCCOC)C1
InChIInChI=1S/C14H28N2O4/c1-3-16-14(13(15)17)6-4-5-12(11-14)20-10-9-19-8-7-18-2/h12,16H,3-11H2,1-2H3,(H2,15,17)
InChIKeyAYAPUCUSCQBOPK-UHFFFAOYSA-N
XLogP0.44
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(ethylamino)-3-(2-propoxyethoxy)cyclohexane-1-carboxamide
CID 79637126
1-(propan-2-ylamino)-3-(2-propoxyethoxy)cyclohexane-1-carboxamide
CID 79638252
3-[2-(2-methoxyethoxy)ethoxy]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 104565358
1-(ethylamino)-3-(2-propan-2-yloxyethoxy)cyclopentane-1-carboxamide
CID 79648904
3-[2-(3-methoxypropoxy)ethoxy]-1-(methylamino)cyclohexane-1-carboxylic acid
CID 103180113
3-[bis(2-methoxyethyl)amino]-1-(ethylamino)cyclohexane-1-carboxamide
CID 79627693
1-(ethylamino)-3-(oxolan-2-ylmethoxy)cyclohexane-1-carboxamide
CID 79638293
3-(3,3-dimethylbutoxy)-1-(ethylamino)cyclopentane-1-carboxamide
CID 79653496
methyl 1-(ethylamino)-3-[3-(2-methoxyethoxy)propoxy]cyclopentane-1-carboxylate
CID 103404908
3-(3,3-dimethylbutoxy)-1-(propylamino)cyclohexane-1-carboxamide
CID 79637723
ethyl 3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 79638229
1-(ethylamino)-3-(3-methylbutoxy)cyclohexane-1-carboxylic acid
CID 79638153

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-[2-(2-methoxyethoxy)ethoxy]cyclohexane-1-carboxamide?
The IUPAC name of 1-(ethylamino)-3-[2-(2-methoxyethoxy)ethoxy]cyclohexane-1-carboxamide (CID 104565261) is 1-(ethylamino)-3-[2-(2-methoxyethoxy)ethoxy]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(ethylamino)-3-[2-(2-methoxyethoxy)ethoxy]cyclohexane-1-carboxamide?
The canonical SMILES for 1-(ethylamino)-3-[2-(2-methoxyethoxy)ethoxy]cyclohexane-1-carboxamide is CCNC1(C(N)=O)CCCC(OCCOCCOC)C1.
What is the InChIKey of 1-(ethylamino)-3-[2-(2-methoxyethoxy)ethoxy]cyclohexane-1-carboxamide?
The InChIKey is AYAPUCUSCQBOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4/c1-3-16-14(13(15)17)6-4-5-12(11-14)20-10-9-19-8-7-18-2/h12,16H,3-11H2,1-2H3,(H2,15,17).
What are the key properties of 1-(ethylamino)-3-[2-(2-methoxyethoxy)ethoxy]cyclohexane-1-carboxamide?
1-(ethylamino)-3-[2-(2-methoxyethoxy)ethoxy]cyclohexane-1-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 0.44, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-[2-(2-methoxyethoxy)ethoxy]cyclohexane-1-carboxamide is sourced from PubChem (CID 104565261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).