[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-cyclohexylpropanoate

C19H27NO4 — CID 3460226

IUPAC[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-cyclohexylpropanoate
SMILESCOc1ccc(CNC(=O)COC(=O)CCC2CCCCC2)cc1
InChIInChI=1S/C19H27NO4/c1-23-17-10-7-16(8-11-17)13-20-18(21)14-24-19(22)12-9-15-5-3-2-4-6-15/h7-8,10-11,15H,2-6,9,12-14H2,1H3,(H,20,21)
InChIKeyWOGBENGPKIRREC-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.22
Rot. Bonds8

About [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-cyclohexylpropanoate

[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-cyclohexylpropanoate (PubChem CID 3460226) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-cyclohexylpropanoate.

Molecular Properties

Compound Name[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-cyclohexylpropanoate
PubChem CID3460226
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Name[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-cyclohexylpropanoate
SMILESCOc1ccc(CNC(=O)COC(=O)CCC2CCCCC2)cc1
InChIInChI=1S/C19H27NO4/c1-23-17-10-7-16(8-11-17)13-20-18(21)14-24-19(22)12-9-15-5-3-2-4-6-15/h7-8,10-11,15H,2-6,9,12-14H2,1H3,(H,20,21)
InChIKeyWOGBENGPKIRREC-UHFFFAOYSA-N
XLogP3.22
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-cyclohexylpropanoate?
The IUPAC name of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-cyclohexylpropanoate (CID 3460226) is [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-cyclohexylpropanoate.
What is the SMILES notation for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-cyclohexylpropanoate?
The canonical SMILES for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-cyclohexylpropanoate is COc1ccc(CNC(=O)COC(=O)CCC2CCCCC2)cc1.
What is the InChIKey of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-cyclohexylpropanoate?
The InChIKey is WOGBENGPKIRREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4/c1-23-17-10-7-16(8-11-17)13-20-18(21)14-24-19(22)12-9-15-5-3-2-4-6-15/h7-8,10-11,15H,2-6,9,12-14H2,1H3,(H,20,21).
What are the key properties of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-cyclohexylpropanoate?
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-cyclohexylpropanoate has a molecular weight of 333.43 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-cyclohexylpropanoate is sourced from PubChem (CID 3460226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).