[1-(cyclohexylamino)-2-methyl-1-oxopropan-2-yl] acetate

C12H21NO3 — CID 11218422

IUPAC[1-(cyclohexylamino)-2-methyl-1-oxopropan-2-yl] acetate
SMILESCC(=O)OC(C)(C)C(=O)NC1CCCCC1
InChIInChI=1S/C12H21NO3/c1-9(14)16-12(2,3)11(15)13-10-7-5-4-6-8-10/h10H,4-8H2,1-3H3,(H,13,15)
InChIKeyHFNYSBPKILBIRJ-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.78
Rot. Bonds3

About [1-(cyclohexylamino)-2-methyl-1-oxopropan-2-yl] acetate

[1-(cyclohexylamino)-2-methyl-1-oxopropan-2-yl] acetate (PubChem CID 11218422) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is [1-(cyclohexylamino)-2-methyl-1-oxopropan-2-yl] acetate.

Molecular Properties

Compound Name[1-(cyclohexylamino)-2-methyl-1-oxopropan-2-yl] acetate
PubChem CID11218422
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name[1-(cyclohexylamino)-2-methyl-1-oxopropan-2-yl] acetate
SMILESCC(=O)OC(C)(C)C(=O)NC1CCCCC1
InChIInChI=1S/C12H21NO3/c1-9(14)16-12(2,3)11(15)13-10-7-5-4-6-8-10/h10H,4-8H2,1-3H3,(H,13,15)
InChIKeyHFNYSBPKILBIRJ-UHFFFAOYSA-N
XLogP1.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexylamino)-2-methyl-1-oxopropan-2-yl] acetate?
The IUPAC name of [1-(cyclohexylamino)-2-methyl-1-oxopropan-2-yl] acetate (CID 11218422) is [1-(cyclohexylamino)-2-methyl-1-oxopropan-2-yl] acetate.
What is the SMILES notation for [1-(cyclohexylamino)-2-methyl-1-oxopropan-2-yl] acetate?
The canonical SMILES for [1-(cyclohexylamino)-2-methyl-1-oxopropan-2-yl] acetate is CC(=O)OC(C)(C)C(=O)NC1CCCCC1.
What is the InChIKey of [1-(cyclohexylamino)-2-methyl-1-oxopropan-2-yl] acetate?
The InChIKey is HFNYSBPKILBIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-9(14)16-12(2,3)11(15)13-10-7-5-4-6-8-10/h10H,4-8H2,1-3H3,(H,13,15).
What are the key properties of [1-(cyclohexylamino)-2-methyl-1-oxopropan-2-yl] acetate?
[1-(cyclohexylamino)-2-methyl-1-oxopropan-2-yl] acetate has a molecular weight of 227.30 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexylamino)-2-methyl-1-oxopropan-2-yl] acetate is sourced from PubChem (CID 11218422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).