[2-(3-ethylanilino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate

C22H27NO6 — CID 8019117

IUPAC[2-(3-ethylanilino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
SMILESCCc1cccc(NC(=O)COC(=O)CCc2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C22H27NO6/c1-5-15-7-6-8-17(11-15)23-20(24)14-29-21(25)10-9-16-12-18(26-2)22(28-4)19(13-16)27-3/h6-8,11-13H,5,9-10,14H2,1-4H3,(H,23,24)
InChIKeyAFNJWOUZXVBYIT-UHFFFAOYSA-N
MW401.46 g/mol
LogP3.39
Rot. Bonds10

About [2-(3-ethylanilino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate

[2-(3-ethylanilino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate (PubChem CID 8019117) has the molecular formula C22H27NO6 and a molecular weight of 401.46 g/mol. Its IUPAC name is [2-(3-ethylanilino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate.

Molecular Properties

Compound Name[2-(3-ethylanilino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
PubChem CID8019117
Molecular FormulaC22H27NO6
Molecular Weight401.46 g/mol
Exact Mass401.18
IUPAC Name[2-(3-ethylanilino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
SMILESCCc1cccc(NC(=O)COC(=O)CCc2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C22H27NO6/c1-5-15-7-6-8-17(11-15)23-20(24)14-29-21(25)10-9-16-12-18(26-2)22(28-4)19(13-16)27-3/h6-8,11-13H,5,9-10,14H2,1-4H3,(H,23,24)
InChIKeyAFNJWOUZXVBYIT-UHFFFAOYSA-N
XLogP3.39
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 8019343
[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 7776550
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 8019120
N-[3-(diethylaminomethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55602062
[2-(3-ethylanilino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8615444
N-(3-sulfamoylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 9413193
[2-(furan-2-carbonylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 25290254
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 9230271
[2-(3-ethylanilino)-2-oxoethyl] 3-(phenylcarbamoylamino)propanoate
CID 7805318
propyl 3-(3,4,5-trimethoxyphenyl)propanoate
CID 56929908
N-(3-methylsulfanylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2665681
[2-(3-ethylanilino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 8734350

Frequently Asked Questions

What is the IUPAC name of [2-(3-ethylanilino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate?
The IUPAC name of [2-(3-ethylanilino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate (CID 8019117) is [2-(3-ethylanilino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate.
What is the SMILES notation for [2-(3-ethylanilino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate?
The canonical SMILES for [2-(3-ethylanilino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate is CCc1cccc(NC(=O)COC(=O)CCc2cc(OC)c(OC)c(OC)c2)c1.
What is the InChIKey of [2-(3-ethylanilino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate?
The InChIKey is AFNJWOUZXVBYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO6/c1-5-15-7-6-8-17(11-15)23-20(24)14-29-21(25)10-9-16-12-18(26-2)22(28-4)19(13-16)27-3/h6-8,11-13H,5,9-10,14H2,1-4H3,(H,23,24).
What are the key properties of [2-(3-ethylanilino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate?
[2-(3-ethylanilino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate has a molecular weight of 401.46 g/mol, XLogP of 3.39, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-ethylanilino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate is sourced from PubChem (CID 8019117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).