[2-(cyclohexylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate

C18H25NO4 — CID 24671655

IUPAC[2-(cyclohexylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
SMILESCOc1ccccc1CCC(=O)OCC(=O)NC1CCCCC1
InChIInChI=1S/C18H25NO4/c1-22-16-10-6-5-7-14(16)11-12-18(21)23-13-17(20)19-15-8-3-2-4-9-15/h5-7,10,15H,2-4,8-9,11-13H2,1H3,(H,19,20)
InChIKeyXRXBDKWOARUKCQ-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.62
Rot. Bonds7

About [2-(cyclohexylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate

[2-(cyclohexylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate (PubChem CID 24671655) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
PubChem CID24671655
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name[2-(cyclohexylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
SMILESCOc1ccccc1CCC(=O)OCC(=O)NC1CCCCC1
InChIInChI=1S/C18H25NO4/c1-22-16-10-6-5-7-14(16)11-12-18(21)23-13-17(20)19-15-8-3-2-4-9-15/h5-7,10,15H,2-4,8-9,11-13H2,1H3,(H,19,20)
InChIKeyXRXBDKWOARUKCQ-UHFFFAOYSA-N
XLogP2.62
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate?
The IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate (CID 24671655) is [2-(cyclohexylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate is COc1ccccc1CCC(=O)OCC(=O)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate?
The InChIKey is XRXBDKWOARUKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-22-16-10-6-5-7-14(16)11-12-18(21)23-13-17(20)19-15-8-3-2-4-9-15/h5-7,10,15H,2-4,8-9,11-13H2,1H3,(H,19,20).
What are the key properties of [2-(cyclohexylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate?
[2-(cyclohexylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate has a molecular weight of 319.40 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate is sourced from PubChem (CID 24671655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).