1-(propan-2-ylamino)-3-(2-propoxyethoxy)cyclohexane-1-carboxamide

C15H30N2O3 — CID 79638252

IUPAC1-(propan-2-ylamino)-3-(2-propoxyethoxy)cyclohexane-1-carboxamide
SMILESCCCOCCOC1CCCC(NC(C)C)(C(N)=O)C1
InChIInChI=1S/C15H30N2O3/c1-4-8-19-9-10-20-13-6-5-7-15(11-13,14(16)18)17-12(2)3/h12-13,17H,4-11H2,1-3H3,(H2,16,18)
InChIKeyQNMCLCQTMRPRDE-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.59
Rot. Bonds9

About 1-(propan-2-ylamino)-3-(2-propoxyethoxy)cyclohexane-1-carboxamide

1-(propan-2-ylamino)-3-(2-propoxyethoxy)cyclohexane-1-carboxamide (PubChem CID 79638252) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-(propan-2-ylamino)-3-(2-propoxyethoxy)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(propan-2-ylamino)-3-(2-propoxyethoxy)cyclohexane-1-carboxamide
PubChem CID79638252
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name1-(propan-2-ylamino)-3-(2-propoxyethoxy)cyclohexane-1-carboxamide
SMILESCCCOCCOC1CCCC(NC(C)C)(C(N)=O)C1
InChIInChI=1S/C15H30N2O3/c1-4-8-19-9-10-20-13-6-5-7-15(11-13,14(16)18)17-12(2)3/h12-13,17H,4-11H2,1-3H3,(H2,16,18)
InChIKeyQNMCLCQTMRPRDE-UHFFFAOYSA-N
XLogP1.59
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
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

Computed Properties (RDKit)

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

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Related Compounds

3-butoxy-1-(propan-2-ylamino)cyclohexane-1-carboxamide
CID 79637341
1-(ethylamino)-3-(2-propoxyethoxy)cyclohexane-1-carboxamide
CID 79637126
3-[2-(2-methoxyethoxy)ethoxy]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 104565358
3-(2-cyclopropylethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxamide
CID 106204251
1-(ethylamino)-3-[2-(2-methoxyethoxy)ethoxy]cyclohexane-1-carboxamide
CID 104565261
3-hexoxy-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79649116
ethyl 3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 79638229
3-(4-methylpentoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79649432
3-(1-ethoxypropan-2-yloxy)-1-(propan-2-ylamino)cyclohexane-1-carboxamide
CID 103489882
1-(propan-2-ylamino)-3-(2-propan-2-yloxyethoxy)cyclohexane-1-carboxylic acid
CID 79637327
3-(3-methoxy-3-methylbutoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 106666769
3-(3,3-dimethylbutoxy)-1-(propylamino)cyclohexane-1-carboxamide
CID 79637723

Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylamino)-3-(2-propoxyethoxy)cyclohexane-1-carboxamide?
The IUPAC name of 1-(propan-2-ylamino)-3-(2-propoxyethoxy)cyclohexane-1-carboxamide (CID 79638252) is 1-(propan-2-ylamino)-3-(2-propoxyethoxy)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(propan-2-ylamino)-3-(2-propoxyethoxy)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(propan-2-ylamino)-3-(2-propoxyethoxy)cyclohexane-1-carboxamide is CCCOCCOC1CCCC(NC(C)C)(C(N)=O)C1.
What is the InChIKey of 1-(propan-2-ylamino)-3-(2-propoxyethoxy)cyclohexane-1-carboxamide?
The InChIKey is QNMCLCQTMRPRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-4-8-19-9-10-20-13-6-5-7-15(11-13,14(16)18)17-12(2)3/h12-13,17H,4-11H2,1-3H3,(H2,16,18).
What are the key properties of 1-(propan-2-ylamino)-3-(2-propoxyethoxy)cyclohexane-1-carboxamide?
1-(propan-2-ylamino)-3-(2-propoxyethoxy)cyclohexane-1-carboxamide has a molecular weight of 286.42 g/mol, XLogP of 1.59, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylamino)-3-(2-propoxyethoxy)cyclohexane-1-carboxamide is sourced from PubChem (CID 79638252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).