N-[3-(4-aminocyclohexyl)oxypropyl]-2-propan-2-yloxyacetamide

C14H28N2O3 — CID 112603398

IUPACN-[3-(4-aminocyclohexyl)oxypropyl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)NCCCOC1CCC(N)CC1
InChIInChI=1S/C14H28N2O3/c1-11(2)19-10-14(17)16-8-3-9-18-13-6-4-12(15)5-7-13/h11-13H,3-10,15H2,1-2H3,(H,16,17)
InChIKeyBLTKRNNJJGVZET-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.20
Rot. Bonds8

About N-[3-(4-aminocyclohexyl)oxypropyl]-2-propan-2-yloxyacetamide

N-[3-(4-aminocyclohexyl)oxypropyl]-2-propan-2-yloxyacetamide (PubChem CID 112603398) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[3-(4-aminocyclohexyl)oxypropyl]-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-[3-(4-aminocyclohexyl)oxypropyl]-2-propan-2-yloxyacetamide
PubChem CID112603398
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC NameN-[3-(4-aminocyclohexyl)oxypropyl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)NCCCOC1CCC(N)CC1
InChIInChI=1S/C14H28N2O3/c1-11(2)19-10-14(17)16-8-3-9-18-13-6-4-12(15)5-7-13/h11-13H,3-10,15H2,1-2H3,(H,16,17)
InChIKeyBLTKRNNJJGVZET-UHFFFAOYSA-N
XLogP1.20
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.20
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

N-[3-(4-aminocyclohexyl)oxypropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949472
2-methylpropyl N-[3-(4-aminocyclohexyl)oxypropyl]carbamate
CID 63870091
1-[3-(4-aminocyclohexyl)oxypropyl]-3-propylurea
CID 63870768
1-[3-(4-aminocyclohexyl)oxypropyl]-3-tert-butylurea
CID 63870429
N-[3-(4-aminocyclohexyl)oxypropyl]-2-propan-2-yloxyethanesulfonamide
CID 79592869
N-[5-[2-(6-methylheptoxy)ethoxy]pentyl]-2-propan-2-yloxyacetamide
CID 138727601
N-(3-cyclohexyloxypropyl)-2-ethoxyacetamide
CID 60668714
N-(5-formamidopentyl)-2-propan-2-yloxyacetamide
CID 155740899
N-[3-(4-aminocyclohexyl)oxypropyl]-2-pyridin-4-ylacetamide
CID 63871143
N-[3-(4-aminocyclohexyl)oxypropyl]-2-pyrazol-1-ylpropanamide
CID 63870310
N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylbutanamide
CID 63869286
N-(4-aminobutyl)-2-propan-2-yloxyacetamide
CID 112601737

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminocyclohexyl)oxypropyl]-2-propan-2-yloxyacetamide?
The IUPAC name of N-[3-(4-aminocyclohexyl)oxypropyl]-2-propan-2-yloxyacetamide (CID 112603398) is N-[3-(4-aminocyclohexyl)oxypropyl]-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-[3-(4-aminocyclohexyl)oxypropyl]-2-propan-2-yloxyacetamide?
The canonical SMILES for N-[3-(4-aminocyclohexyl)oxypropyl]-2-propan-2-yloxyacetamide is CC(C)OCC(=O)NCCCOC1CCC(N)CC1.
What is the InChIKey of N-[3-(4-aminocyclohexyl)oxypropyl]-2-propan-2-yloxyacetamide?
The InChIKey is BLTKRNNJJGVZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-11(2)19-10-14(17)16-8-3-9-18-13-6-4-12(15)5-7-13/h11-13H,3-10,15H2,1-2H3,(H,16,17).
What are the key properties of N-[3-(4-aminocyclohexyl)oxypropyl]-2-propan-2-yloxyacetamide?
N-[3-(4-aminocyclohexyl)oxypropyl]-2-propan-2-yloxyacetamide has a molecular weight of 272.39 g/mol, XLogP of 1.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminocyclohexyl)oxypropyl]-2-propan-2-yloxyacetamide is sourced from PubChem (CID 112603398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).