N-[3-(4-aminocyclohexyl)oxypropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

C15H30N2O3 — CID 115949472

IUPACN-[3-(4-aminocyclohexyl)oxypropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)NCCCOC1CCC(N)CC1
InChIInChI=1S/C15H30N2O3/c1-15(2,3)20-11-14(18)17-9-4-10-19-13-7-5-12(16)6-8-13/h12-13H,4-11,16H2,1-3H3,(H,17,18)
InChIKeyZOWJCZIDPKCGIJ-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.59
Rot. Bonds7

About N-[3-(4-aminocyclohexyl)oxypropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

N-[3-(4-aminocyclohexyl)oxypropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 115949472) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[3-(4-aminocyclohexyl)oxypropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[3-(4-aminocyclohexyl)oxypropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID115949472
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC NameN-[3-(4-aminocyclohexyl)oxypropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)NCCCOC1CCC(N)CC1
InChIInChI=1S/C15H30N2O3/c1-15(2,3)20-11-14(18)17-9-4-10-19-13-7-5-12(16)6-8-13/h12-13H,4-11,16H2,1-3H3,(H,17,18)
InChIKeyZOWJCZIDPKCGIJ-UHFFFAOYSA-N
XLogP1.59
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminocyclohexyl)oxypropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-[3-(4-aminocyclohexyl)oxypropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 115949472) is N-[3-(4-aminocyclohexyl)oxypropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-[3-(4-aminocyclohexyl)oxypropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-[3-(4-aminocyclohexyl)oxypropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide is CC(C)(C)OCC(=O)NCCCOC1CCC(N)CC1.
What is the InChIKey of N-[3-(4-aminocyclohexyl)oxypropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is ZOWJCZIDPKCGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-15(2,3)20-11-14(18)17-9-4-10-19-13-7-5-12(16)6-8-13/h12-13H,4-11,16H2,1-3H3,(H,17,18).
What are the key properties of N-[3-(4-aminocyclohexyl)oxypropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-[3-(4-aminocyclohexyl)oxypropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 286.42 g/mol, XLogP of 1.59, 7 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-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 115949472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).