[1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate

C18H25NO4 — CID 42900696

IUPAC[1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OC(C)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C18H25NO4/c1-13(18(21)19-15-6-4-3-5-7-15)23-17(20)12-14-8-10-16(22-2)11-9-14/h8-11,13,15H,3-7,12H2,1-2H3,(H,19,21)
InChIKeyIKGJTCOWIZRUBM-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.62
Rot. Bonds6

About [1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate

[1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate (PubChem CID 42900696) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is [1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Name[1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate
PubChem CID42900696
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name[1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OC(C)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C18H25NO4/c1-13(18(21)19-15-6-4-3-5-7-15)23-17(20)12-14-8-10-16(22-2)11-9-14/h8-11,13,15H,3-7,12H2,1-2H3,(H,19,21)
InChIKeyIKGJTCOWIZRUBM-UHFFFAOYSA-N
XLogP2.62
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate with MolForge

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Related Compounds

[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate
CID 7705394
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate
CID 40722371
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667306
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667346
[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
CID 8731275
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methoxybenzoate
CID 7506979
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 7706439
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(3-methoxyphenyl)acetate
CID 7840127
[(2S)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 2-(4-methoxyphenyl)acetate
CID 7705498
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylacetate
CID 7874780
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylacetate
CID 7874778
[(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-methylphenyl)acetate
CID 9063212

Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate?
The IUPAC name of [1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate (CID 42900696) is [1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate.
What is the SMILES notation for [1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate?
The canonical SMILES for [1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate is COc1ccc(CC(=O)OC(C)C(=O)NC2CCCCC2)cc1.
What is the InChIKey of [1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate?
The InChIKey is IKGJTCOWIZRUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-13(18(21)19-15-6-4-3-5-7-15)23-17(20)12-14-8-10-16(22-2)11-9-14/h8-11,13,15H,3-7,12H2,1-2H3,(H,19,21).
What are the key properties of [1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate?
[1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate has a molecular weight of 319.40 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 42900696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).