[2-oxo-2-(propylamino)ethyl] 3,5-dimethoxybenzoate

C14H19NO5 — CID 2516393

IUPAC[2-oxo-2-(propylamino)ethyl] 3,5-dimethoxybenzoate
SMILESCCCNC(=O)COC(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C14H19NO5/c1-4-5-15-13(16)9-20-14(17)10-6-11(18-2)8-12(7-10)19-3/h6-8H,4-5,9H2,1-3H3,(H,15,16)
InChIKeyDCQHIMYUAGORCH-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.39
Rot. Bonds7

About [2-oxo-2-(propylamino)ethyl] 3,5-dimethoxybenzoate

[2-oxo-2-(propylamino)ethyl] 3,5-dimethoxybenzoate (PubChem CID 2516393) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is [2-oxo-2-(propylamino)ethyl] 3,5-dimethoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(propylamino)ethyl] 3,5-dimethoxybenzoate
PubChem CID2516393
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name[2-oxo-2-(propylamino)ethyl] 3,5-dimethoxybenzoate
SMILESCCCNC(=O)COC(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C14H19NO5/c1-4-5-15-13(16)9-20-14(17)10-6-11(18-2)8-12(7-10)19-3/h6-8H,4-5,9H2,1-3H3,(H,15,16)
InChIKeyDCQHIMYUAGORCH-UHFFFAOYSA-N
XLogP1.39
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(propylamino)ethyl] 3,4,5-trimethoxybenzoate
CID 2572054
[2-oxo-2-(prop-2-ynylamino)ethyl] 3,5-dimethoxybenzoate
CID 9228714
[2-(3-methylbutylamino)-2-oxoethyl] 3-amino-5-methoxybenzoate
CID 81093824
[2-oxo-2-(propylamino)ethyl] 3-chloro-4,5-dimethoxybenzoate
CID 17497937
[2-oxo-2-(propan-2-ylamino)ethyl] 3,5-dimethoxybenzoate
CID 2516356
[2-oxo-2-(propylcarbamoylamino)ethyl] 3-methoxybenzoate
CID 7703073
[2-(2-benzylsulfanylethylamino)-2-oxoethyl] 3,5-dimethoxybenzoate
CID 7874743
3,5-dimethoxy-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]benzamide
CID 18162820
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3,5-dimethoxybenzoate
CID 2516189
[2-oxo-2-(propylamino)ethyl] 2-bromo-5-methoxybenzoate
CID 2524308
[2-oxo-2-(pentan-3-ylamino)ethyl] 3-amino-5-methoxybenzoate
CID 81095128
[2-oxo-2-(propylamino)ethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 9067051

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propylamino)ethyl] 3,5-dimethoxybenzoate?
The IUPAC name of [2-oxo-2-(propylamino)ethyl] 3,5-dimethoxybenzoate (CID 2516393) is [2-oxo-2-(propylamino)ethyl] 3,5-dimethoxybenzoate.
What is the SMILES notation for [2-oxo-2-(propylamino)ethyl] 3,5-dimethoxybenzoate?
The canonical SMILES for [2-oxo-2-(propylamino)ethyl] 3,5-dimethoxybenzoate is CCCNC(=O)COC(=O)c1cc(OC)cc(OC)c1.
What is the InChIKey of [2-oxo-2-(propylamino)ethyl] 3,5-dimethoxybenzoate?
The InChIKey is DCQHIMYUAGORCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-4-5-15-13(16)9-20-14(17)10-6-11(18-2)8-12(7-10)19-3/h6-8H,4-5,9H2,1-3H3,(H,15,16).
What are the key properties of [2-oxo-2-(propylamino)ethyl] 3,5-dimethoxybenzoate?
[2-oxo-2-(propylamino)ethyl] 3,5-dimethoxybenzoate has a molecular weight of 281.31 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propylamino)ethyl] 3,5-dimethoxybenzoate is sourced from PubChem (CID 2516393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).