[2-(benzylamino)-2-oxoethyl] 2,5-dimethoxybenzoate

C18H19NO5 — CID 7586819

IUPAC[2-(benzylamino)-2-oxoethyl] 2,5-dimethoxybenzoate
SMILESCOc1ccc(OC)c(C(=O)OCC(=O)NCc2ccccc2)c1
InChIInChI=1S/C18H19NO5/c1-22-14-8-9-16(23-2)15(10-14)18(21)24-12-17(20)19-11-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3,(H,19,20)
InChIKeySMHQNHHFBFUJBG-UHFFFAOYSA-N
MW329.35 g/mol
LogP2.18
Rot. Bonds7

About [2-(benzylamino)-2-oxoethyl] 2,5-dimethoxybenzoate

[2-(benzylamino)-2-oxoethyl] 2,5-dimethoxybenzoate (PubChem CID 7586819) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is [2-(benzylamino)-2-oxoethyl] 2,5-dimethoxybenzoate.

Molecular Properties

Compound Name[2-(benzylamino)-2-oxoethyl] 2,5-dimethoxybenzoate
PubChem CID7586819
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name[2-(benzylamino)-2-oxoethyl] 2,5-dimethoxybenzoate
SMILESCOc1ccc(OC)c(C(=O)OCC(=O)NCc2ccccc2)c1
InChIInChI=1S/C18H19NO5/c1-22-14-8-9-16(23-2)15(10-14)18(21)24-12-17(20)19-11-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3,(H,19,20)
InChIKeySMHQNHHFBFUJBG-UHFFFAOYSA-N
XLogP2.18
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 2587537
[2-(benzylamino)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 2335043
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-benzylbenzoate
CID 2587645
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7486908
[2-(benzylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2335668
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] benzoate
CID 7514894
[2-(3-methoxyanilino)-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7586721
[2-(benzylamino)-2-oxoethyl] 2,4-dimethylbenzoate
CID 2544191
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 2566071
[2-(benzylamino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519930
[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl] 2,4-dimethoxybenzoate
CID 50929549
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2,5-dimethoxybenzoate
CID 16556676

Frequently Asked Questions

What is the IUPAC name of [2-(benzylamino)-2-oxoethyl] 2,5-dimethoxybenzoate?
The IUPAC name of [2-(benzylamino)-2-oxoethyl] 2,5-dimethoxybenzoate (CID 7586819) is [2-(benzylamino)-2-oxoethyl] 2,5-dimethoxybenzoate.
What is the SMILES notation for [2-(benzylamino)-2-oxoethyl] 2,5-dimethoxybenzoate?
The canonical SMILES for [2-(benzylamino)-2-oxoethyl] 2,5-dimethoxybenzoate is COc1ccc(OC)c(C(=O)OCC(=O)NCc2ccccc2)c1.
What is the InChIKey of [2-(benzylamino)-2-oxoethyl] 2,5-dimethoxybenzoate?
The InChIKey is SMHQNHHFBFUJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-22-14-8-9-16(23-2)15(10-14)18(21)24-12-17(20)19-11-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3,(H,19,20).
What are the key properties of [2-(benzylamino)-2-oxoethyl] 2,5-dimethoxybenzoate?
[2-(benzylamino)-2-oxoethyl] 2,5-dimethoxybenzoate has a molecular weight of 329.35 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylamino)-2-oxoethyl] 2,5-dimethoxybenzoate is sourced from PubChem (CID 7586819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).