[2-(cyclohexylamino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate

C17H23NO4 — CID 2556394

IUPAC[2-(cyclohexylamino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C17H23NO4/c1-21-15-9-7-13(8-10-15)11-17(20)22-12-16(19)18-14-5-3-2-4-6-14/h7-10,14H,2-6,11-12H2,1H3,(H,18,19)
InChIKeyLPNXCNBSAZWORP-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.23
Rot. Bonds6

About [2-(cyclohexylamino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate

[2-(cyclohexylamino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate (PubChem CID 2556394) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
PubChem CID2556394
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name[2-(cyclohexylamino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C17H23NO4/c1-21-15-9-7-13(8-10-15)11-17(20)22-12-16(19)18-14-5-3-2-4-6-14/h7-10,14H,2-6,11-12H2,1H3,(H,18,19)
InChIKeyLPNXCNBSAZWORP-UHFFFAOYSA-N
XLogP2.23
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.23
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] 2-(4-methoxyphenyl)acetate?
The IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate (CID 2556394) is [2-(cyclohexylamino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate is COc1ccc(CC(=O)OCC(=O)NC2CCCCC2)cc1.
What is the InChIKey of [2-(cyclohexylamino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
The InChIKey is LPNXCNBSAZWORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-21-15-9-7-13(8-10-15)11-17(20)22-12-16(19)18-14-5-3-2-4-6-14/h7-10,14H,2-6,11-12H2,1H3,(H,18,19).
What are the key properties of [2-(cyclohexylamino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
[2-(cyclohexylamino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate has a molecular weight of 305.37 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 2556394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).