[2-(3-methoxyphenyl)-2-oxoethyl] 5-(cyclohexylamino)-5-oxopentanoate

C20H27NO5 — CID 2925979

IUPAC[2-(3-methoxyphenyl)-2-oxoethyl] 5-(cyclohexylamino)-5-oxopentanoate
SMILESCOc1cccc(C(=O)COC(=O)CCCC(=O)NC2CCCCC2)c1
InChIInChI=1S/C20H27NO5/c1-25-17-10-5-7-15(13-17)18(22)14-26-20(24)12-6-11-19(23)21-16-8-3-2-4-9-16/h5,7,10,13,16H,2-4,6,8-9,11-12,14H2,1H3,(H,21,23)
InChIKeyPZCSOAJUTWAUPX-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.04
Rot. Bonds9

About [2-(3-methoxyphenyl)-2-oxoethyl] 5-(cyclohexylamino)-5-oxopentanoate

[2-(3-methoxyphenyl)-2-oxoethyl] 5-(cyclohexylamino)-5-oxopentanoate (PubChem CID 2925979) has the molecular formula C20H27NO5 and a molecular weight of 361.44 g/mol. Its IUPAC name is [2-(3-methoxyphenyl)-2-oxoethyl] 5-(cyclohexylamino)-5-oxopentanoate.

Molecular Properties

Compound Name[2-(3-methoxyphenyl)-2-oxoethyl] 5-(cyclohexylamino)-5-oxopentanoate
PubChem CID2925979
Molecular FormulaC20H27NO5
Molecular Weight361.44 g/mol
Exact Mass361.19
IUPAC Name[2-(3-methoxyphenyl)-2-oxoethyl] 5-(cyclohexylamino)-5-oxopentanoate
SMILESCOc1cccc(C(=O)COC(=O)CCCC(=O)NC2CCCCC2)c1
InChIInChI=1S/C20H27NO5/c1-25-17-10-5-7-15(13-17)18(22)14-26-20(24)12-6-11-19(23)21-16-8-3-2-4-9-16/h5,7,10,13,16H,2-4,6,8-9,11-12,14H2,1H3,(H,21,23)
InChIKeyPZCSOAJUTWAUPX-UHFFFAOYSA-N
XLogP3.04
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyphenyl)-2-oxoethyl] 5-(cyclohexylamino)-5-oxopentanoate?
The IUPAC name of [2-(3-methoxyphenyl)-2-oxoethyl] 5-(cyclohexylamino)-5-oxopentanoate (CID 2925979) is [2-(3-methoxyphenyl)-2-oxoethyl] 5-(cyclohexylamino)-5-oxopentanoate.
What is the SMILES notation for [2-(3-methoxyphenyl)-2-oxoethyl] 5-(cyclohexylamino)-5-oxopentanoate?
The canonical SMILES for [2-(3-methoxyphenyl)-2-oxoethyl] 5-(cyclohexylamino)-5-oxopentanoate is COc1cccc(C(=O)COC(=O)CCCC(=O)NC2CCCCC2)c1.
What is the InChIKey of [2-(3-methoxyphenyl)-2-oxoethyl] 5-(cyclohexylamino)-5-oxopentanoate?
The InChIKey is PZCSOAJUTWAUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO5/c1-25-17-10-5-7-15(13-17)18(22)14-26-20(24)12-6-11-19(23)21-16-8-3-2-4-9-16/h5,7,10,13,16H,2-4,6,8-9,11-12,14H2,1H3,(H,21,23).
What are the key properties of [2-(3-methoxyphenyl)-2-oxoethyl] 5-(cyclohexylamino)-5-oxopentanoate?
[2-(3-methoxyphenyl)-2-oxoethyl] 5-(cyclohexylamino)-5-oxopentanoate has a molecular weight of 361.44 g/mol, XLogP of 3.04, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyphenyl)-2-oxoethyl] 5-(cyclohexylamino)-5-oxopentanoate is sourced from PubChem (CID 2925979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).