ethyl 2-[benzyl-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]amino]acetate

C26H34N2O4 — CID 15987591

IUPACethyl 2-[benzyl-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]amino]acetate
SMILESCCOC(=O)CN(Cc1ccccc1)C(C(=O)NC1CCCCC1)c1ccc(OC)cc1
InChIInChI=1S/C26H34N2O4/c1-3-32-24(29)19-28(18-20-10-6-4-7-11-20)25(21-14-16-23(31-2)17-15-21)26(30)27-22-12-8-5-9-13-22/h4,6-7,10-11,14-17,22,25H,3,5,8-9,12-13,18-19H2,1-2H3,(H,27,30)
InChIKeyYAAALBUYRLTYSW-UHFFFAOYSA-N
MW438.57 g/mol
LogP4.25
Rot. Bonds10

About ethyl 2-[benzyl-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]amino]acetate

ethyl 2-[benzyl-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]amino]acetate (PubChem CID 15987591) has the molecular formula C26H34N2O4 and a molecular weight of 438.57 g/mol. Its IUPAC name is ethyl 2-[benzyl-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[benzyl-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]amino]acetate
PubChem CID15987591
Molecular FormulaC26H34N2O4
Molecular Weight438.57 g/mol
Exact Mass438.25
IUPAC Nameethyl 2-[benzyl-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]amino]acetate
SMILESCCOC(=O)CN(Cc1ccccc1)C(C(=O)NC1CCCCC1)c1ccc(OC)cc1
InChIInChI=1S/C26H34N2O4/c1-3-32-24(29)19-28(18-20-10-6-4-7-11-20)25(21-14-16-23(31-2)17-15-21)26(30)27-22-12-8-5-9-13-22/h4,6-7,10-11,14-17,22,25H,3,5,8-9,12-13,18-19H2,1-2H3,(H,27,30)
InChIKeyYAAALBUYRLTYSW-UHFFFAOYSA-N
XLogP4.25
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[benzyl-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]amino]acetate?
The IUPAC name of ethyl 2-[benzyl-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]amino]acetate (CID 15987591) is ethyl 2-[benzyl-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]amino]acetate.
What is the SMILES notation for ethyl 2-[benzyl-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]amino]acetate?
The canonical SMILES for ethyl 2-[benzyl-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]amino]acetate is CCOC(=O)CN(Cc1ccccc1)C(C(=O)NC1CCCCC1)c1ccc(OC)cc1.
What is the InChIKey of ethyl 2-[benzyl-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]amino]acetate?
The InChIKey is YAAALBUYRLTYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O4/c1-3-32-24(29)19-28(18-20-10-6-4-7-11-20)25(21-14-16-23(31-2)17-15-21)26(30)27-22-12-8-5-9-13-22/h4,6-7,10-11,14-17,22,25H,3,5,8-9,12-13,18-19H2,1-2H3,(H,27,30).
What are the key properties of ethyl 2-[benzyl-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]amino]acetate?
ethyl 2-[benzyl-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]amino]acetate has a molecular weight of 438.57 g/mol, XLogP of 4.25, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[benzyl-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]amino]acetate is sourced from PubChem (CID 15987591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).