1-(ethylamino)-3-(2-propoxyethoxy)cyclohexane-1-carboxamide

C14H28N2O3 — CID 79637126

IUPAC1-(ethylamino)-3-(2-propoxyethoxy)cyclohexane-1-carboxamide
SMILESCCCOCCOC1CCCC(NCC)(C(N)=O)C1
InChIInChI=1S/C14H28N2O3/c1-3-8-18-9-10-19-12-6-5-7-14(11-12,13(15)17)16-4-2/h12,16H,3-11H2,1-2H3,(H2,15,17)
InChIKeyXAPPTFWLMXKLBO-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.21
Rot. Bonds9

About 1-(ethylamino)-3-(2-propoxyethoxy)cyclohexane-1-carboxamide

1-(ethylamino)-3-(2-propoxyethoxy)cyclohexane-1-carboxamide (PubChem CID 79637126) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-(ethylamino)-3-(2-propoxyethoxy)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(ethylamino)-3-(2-propoxyethoxy)cyclohexane-1-carboxamide
PubChem CID79637126
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name1-(ethylamino)-3-(2-propoxyethoxy)cyclohexane-1-carboxamide
SMILESCCCOCCOC1CCCC(NCC)(C(N)=O)C1
InChIInChI=1S/C14H28N2O3/c1-3-8-18-9-10-19-12-6-5-7-14(11-12,13(15)17)16-4-2/h12,16H,3-11H2,1-2H3,(H2,15,17)
InChIKeyXAPPTFWLMXKLBO-UHFFFAOYSA-N
XLogP1.21
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(ethylamino)-3-(2-propoxyethoxy)cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(ethylamino)-3-[2-(2-methoxyethoxy)ethoxy]cyclohexane-1-carboxamide
CID 104565261
1-(propan-2-ylamino)-3-(2-propoxyethoxy)cyclohexane-1-carboxamide
CID 79638252
1-(ethylamino)-3-(2-propan-2-yloxyethoxy)cyclopentane-1-carboxamide
CID 79648904
3-(3,3-dimethylbutoxy)-1-(propylamino)cyclohexane-1-carboxamide
CID 79637723
1-(ethylamino)-3-(oxolan-2-ylmethoxy)cyclohexane-1-carboxamide
CID 79638293
3-(3,3-dimethylbutoxy)-1-(ethylamino)cyclopentane-1-carboxamide
CID 79653496
1-(ethylamino)-3-heptoxycyclohexane-1-carboxylic acid
CID 79638071
3-butoxy-1-(propan-2-ylamino)cyclohexane-1-carboxamide
CID 79637341
1-(ethylamino)-3-(3-methylbutoxy)cyclohexane-1-carboxylic acid
CID 79638153
ethyl 3-(3,3-dimethylbutoxy)-1-(ethylamino)cyclohexane-1-carboxylate
CID 79635563
3-[2-(2-methoxyethoxy)ethoxy]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 104565358
3-(2-cyclobutylethoxy)-1-(methylamino)cyclohexane-1-carboxamide
CID 114157865

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-(2-propoxyethoxy)cyclohexane-1-carboxamide?
The IUPAC name of 1-(ethylamino)-3-(2-propoxyethoxy)cyclohexane-1-carboxamide (CID 79637126) is 1-(ethylamino)-3-(2-propoxyethoxy)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(ethylamino)-3-(2-propoxyethoxy)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(ethylamino)-3-(2-propoxyethoxy)cyclohexane-1-carboxamide is CCCOCCOC1CCCC(NCC)(C(N)=O)C1.
What is the InChIKey of 1-(ethylamino)-3-(2-propoxyethoxy)cyclohexane-1-carboxamide?
The InChIKey is XAPPTFWLMXKLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-3-8-18-9-10-19-12-6-5-7-14(11-12,13(15)17)16-4-2/h12,16H,3-11H2,1-2H3,(H2,15,17).
What are the key properties of 1-(ethylamino)-3-(2-propoxyethoxy)cyclohexane-1-carboxamide?
1-(ethylamino)-3-(2-propoxyethoxy)cyclohexane-1-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 1.21, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-(2-propoxyethoxy)cyclohexane-1-carboxamide is sourced from PubChem (CID 79637126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).