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

C26H34N2O3 — CID 15987589

IUPACethyl 2-[benzyl-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]amino]acetate
SMILESCCOC(=O)CN(Cc1ccccc1)C(C(=O)NC1CCCCC1)c1ccc(C)cc1
InChIInChI=1S/C26H34N2O3/c1-3-31-24(29)19-28(18-21-10-6-4-7-11-21)25(22-16-14-20(2)15-17-22)26(30)27-23-12-8-5-9-13-23/h4,6-7,10-11,14-17,23,25H,3,5,8-9,12-13,18-19H2,1-2H3,(H,27,30)
InChIKeySOGUGLZFYCNXMV-UHFFFAOYSA-N
MW422.57 g/mol
LogP4.55
Rot. Bonds9

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

ethyl 2-[benzyl-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]amino]acetate (PubChem CID 15987589) has the molecular formula C26H34N2O3 and a molecular weight of 422.57 g/mol. Its IUPAC name is ethyl 2-[benzyl-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[benzyl-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]amino]acetate
PubChem CID15987589
Molecular FormulaC26H34N2O3
Molecular Weight422.57 g/mol
Exact Mass422.26
IUPAC Nameethyl 2-[benzyl-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]amino]acetate
SMILESCCOC(=O)CN(Cc1ccccc1)C(C(=O)NC1CCCCC1)c1ccc(C)cc1
InChIInChI=1S/C26H34N2O3/c1-3-31-24(29)19-28(18-21-10-6-4-7-11-21)25(22-16-14-20(2)15-17-22)26(30)27-23-12-8-5-9-13-23/h4,6-7,10-11,14-17,23,25H,3,5,8-9,12-13,18-19H2,1-2H3,(H,27,30)
InChIKeySOGUGLZFYCNXMV-UHFFFAOYSA-N
XLogP4.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[benzyl-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]amino]acetate?
The IUPAC name of ethyl 2-[benzyl-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]amino]acetate (CID 15987589) is ethyl 2-[benzyl-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]amino]acetate.
What is the SMILES notation for ethyl 2-[benzyl-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]amino]acetate?
The canonical SMILES for ethyl 2-[benzyl-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]amino]acetate is CCOC(=O)CN(Cc1ccccc1)C(C(=O)NC1CCCCC1)c1ccc(C)cc1.
What is the InChIKey of ethyl 2-[benzyl-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]amino]acetate?
The InChIKey is SOGUGLZFYCNXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O3/c1-3-31-24(29)19-28(18-21-10-6-4-7-11-21)25(22-16-14-20(2)15-17-22)26(30)27-23-12-8-5-9-13-23/h4,6-7,10-11,14-17,23,25H,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-methylphenyl)-2-oxoethyl]amino]acetate?
ethyl 2-[benzyl-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]amino]acetate has a molecular weight of 422.57 g/mol, XLogP of 4.55, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[benzyl-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]amino]acetate is sourced from PubChem (CID 15987589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).