[2-oxo-2-(propylcarbamoylamino)ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate

C18H26N2O7 — CID 7776426

IUPAC[2-oxo-2-(propylcarbamoylamino)ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
SMILESCCCNC(=O)NC(=O)COC(=O)CCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C18H26N2O7/c1-5-8-19-18(23)20-15(21)11-27-16(22)7-6-12-9-13(24-2)17(26-4)14(10-12)25-3/h9-10H,5-8,11H2,1-4H3,(H2,19,20,21,23)
InChIKeyQFBNEDOWIPJZKK-UHFFFAOYSA-N
MW382.41 g/mol
LogP1.42
Rot. Bonds10

About [2-oxo-2-(propylcarbamoylamino)ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate

[2-oxo-2-(propylcarbamoylamino)ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate (PubChem CID 7776426) has the molecular formula C18H26N2O7 and a molecular weight of 382.41 g/mol. Its IUPAC name is [2-oxo-2-(propylcarbamoylamino)ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate.

Molecular Properties

Compound Name[2-oxo-2-(propylcarbamoylamino)ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
PubChem CID7776426
Molecular FormulaC18H26N2O7
Molecular Weight382.41 g/mol
Exact Mass382.17
IUPAC Name[2-oxo-2-(propylcarbamoylamino)ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
SMILESCCCNC(=O)NC(=O)COC(=O)CCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C18H26N2O7/c1-5-8-19-18(23)20-15(21)11-27-16(22)7-6-12-9-13(24-2)17(26-4)14(10-12)25-3/h9-10H,5-8,11H2,1-4H3,(H2,19,20,21,23)
InChIKeyQFBNEDOWIPJZKK-UHFFFAOYSA-N
XLogP1.42
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 8019107
[2-oxo-2-(propylcarbamoylamino)ethyl] 3-(4-fluorophenyl)propanoate
CID 8553142
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 9230271
propyl 3-(3,4,5-trimethoxyphenyl)propanoate
CID 56929908
[2-(furan-2-carbonylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 25290254
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 4528014
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 8019120
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 3881246
[2-oxo-2-(propylamino)ethyl] 3,4,5-trimethoxybenzoate
CID 2572054
[2-(3-ethylanilino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 8019117
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 7776286
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8615975

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propylcarbamoylamino)ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate?
The IUPAC name of [2-oxo-2-(propylcarbamoylamino)ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate (CID 7776426) is [2-oxo-2-(propylcarbamoylamino)ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate.
What is the SMILES notation for [2-oxo-2-(propylcarbamoylamino)ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate?
The canonical SMILES for [2-oxo-2-(propylcarbamoylamino)ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate is CCCNC(=O)NC(=O)COC(=O)CCc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of [2-oxo-2-(propylcarbamoylamino)ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate?
The InChIKey is QFBNEDOWIPJZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O7/c1-5-8-19-18(23)20-15(21)11-27-16(22)7-6-12-9-13(24-2)17(26-4)14(10-12)25-3/h9-10H,5-8,11H2,1-4H3,(H2,19,20,21,23).
What are the key properties of [2-oxo-2-(propylcarbamoylamino)ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate?
[2-oxo-2-(propylcarbamoylamino)ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate has a molecular weight of 382.41 g/mol, XLogP of 1.42, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propylcarbamoylamino)ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate is sourced from PubChem (CID 7776426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).