[2-(3-methoxyphenyl)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate

C19H25NO5 — CID 2173243

IUPAC[2-(3-methoxyphenyl)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate
SMILESCOc1cccc(C(=O)COC(=O)CCC(=O)NC2CCCCC2)c1
InChIInChI=1S/C19H25NO5/c1-24-16-9-5-6-14(12-16)17(21)13-25-19(23)11-10-18(22)20-15-7-3-2-4-8-15/h5-6,9,12,15H,2-4,7-8,10-11,13H2,1H3,(H,20,22)
InChIKeyUQGFARLNUMILDO-UHFFFAOYSA-N
MW347.41 g/mol
LogP2.65
Rot. Bonds8

About [2-(3-methoxyphenyl)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate

[2-(3-methoxyphenyl)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate (PubChem CID 2173243) has the molecular formula C19H25NO5 and a molecular weight of 347.41 g/mol. Its IUPAC name is [2-(3-methoxyphenyl)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate.

Molecular Properties

Compound Name[2-(3-methoxyphenyl)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate
PubChem CID2173243
Molecular FormulaC19H25NO5
Molecular Weight347.41 g/mol
Exact Mass347.17
IUPAC Name[2-(3-methoxyphenyl)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate
SMILESCOc1cccc(C(=O)COC(=O)CCC(=O)NC2CCCCC2)c1
InChIInChI=1S/C19H25NO5/c1-24-16-9-5-6-14(12-16)17(21)13-25-19(23)11-10-18(22)20-15-7-3-2-4-8-15/h5-6,9,12,15H,2-4,7-8,10-11,13H2,1H3,(H,20,22)
InChIKeyUQGFARLNUMILDO-UHFFFAOYSA-N
XLogP2.65
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 52.65
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] 4-(cyclohexylamino)-4-oxobutanoate?
The IUPAC name of [2-(3-methoxyphenyl)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate (CID 2173243) is [2-(3-methoxyphenyl)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate.
What is the SMILES notation for [2-(3-methoxyphenyl)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate?
The canonical SMILES for [2-(3-methoxyphenyl)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate is COc1cccc(C(=O)COC(=O)CCC(=O)NC2CCCCC2)c1.
What is the InChIKey of [2-(3-methoxyphenyl)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate?
The InChIKey is UQGFARLNUMILDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO5/c1-24-16-9-5-6-14(12-16)17(21)13-25-19(23)11-10-18(22)20-15-7-3-2-4-8-15/h5-6,9,12,15H,2-4,7-8,10-11,13H2,1H3,(H,20,22).
What are the key properties of [2-(3-methoxyphenyl)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate?
[2-(3-methoxyphenyl)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate has a molecular weight of 347.41 g/mol, XLogP of 2.65, 8 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] 4-(cyclohexylamino)-4-oxobutanoate is sourced from PubChem (CID 2173243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).