[1-(benzylamino)-1-oxopropan-2-yl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate

C22H26N2O7 — CID 55320288

IUPAC[1-(benzylamino)-1-oxopropan-2-yl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
SMILESCOc1cc(C(=O)NCC(=O)OC(C)C(=O)NCc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C22H26N2O7/c1-14(21(26)23-12-15-8-6-5-7-9-15)31-19(25)13-24-22(27)16-10-17(28-2)20(30-4)18(11-16)29-3/h5-11,14H,12-13H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyACXYLZTUKHDKJV-UHFFFAOYSA-N
MW430.46 g/mol
LogP1.69
Rot. Bonds10

About [1-(benzylamino)-1-oxopropan-2-yl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate

[1-(benzylamino)-1-oxopropan-2-yl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate (PubChem CID 55320288) has the molecular formula C22H26N2O7 and a molecular weight of 430.46 g/mol. Its IUPAC name is [1-(benzylamino)-1-oxopropan-2-yl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[1-(benzylamino)-1-oxopropan-2-yl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
PubChem CID55320288
Molecular FormulaC22H26N2O7
Molecular Weight430.46 g/mol
Exact Mass430.17
IUPAC Name[1-(benzylamino)-1-oxopropan-2-yl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
SMILESCOc1cc(C(=O)NCC(=O)OC(C)C(=O)NCc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C22H26N2O7/c1-14(21(26)23-12-15-8-6-5-7-9-15)31-19(25)13-24-22(27)16-10-17(28-2)20(30-4)18(11-16)29-3/h5-11,14H,12-13H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyACXYLZTUKHDKJV-UHFFFAOYSA-N
XLogP1.69
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [1-(benzylamino)-1-oxopropan-2-yl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate with MolForge

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Related Compounds

[(2S)-1-(benzylamino)-1-oxopropan-2-yl] 3,4,5-trimethoxybenzoate
CID 8013279
[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 46618381
[1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-[(2-phenylacetyl)amino]acetate
CID 55420565
[(2R)-1-(benzylamino)-1-oxopropan-2-yl] (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
CID 7795048
naphthalen-1-ylmethyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 7899325
N-benzyl-3-bromo-4,5-dimethoxybenzamide
CID 1008056
[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 42902375
[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667212
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667211
[1-(benzylamino)-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate
CID 42969297
[(2S)-1-anilino-1-oxopropan-2-yl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 7884294
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 7884292

Frequently Asked Questions

What is the IUPAC name of [1-(benzylamino)-1-oxopropan-2-yl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate?
The IUPAC name of [1-(benzylamino)-1-oxopropan-2-yl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate (CID 55320288) is [1-(benzylamino)-1-oxopropan-2-yl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate.
What is the SMILES notation for [1-(benzylamino)-1-oxopropan-2-yl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate?
The canonical SMILES for [1-(benzylamino)-1-oxopropan-2-yl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate is COc1cc(C(=O)NCC(=O)OC(C)C(=O)NCc2ccccc2)cc(OC)c1OC.
What is the InChIKey of [1-(benzylamino)-1-oxopropan-2-yl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate?
The InChIKey is ACXYLZTUKHDKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O7/c1-14(21(26)23-12-15-8-6-5-7-9-15)31-19(25)13-24-22(27)16-10-17(28-2)20(30-4)18(11-16)29-3/h5-11,14H,12-13H2,1-4H3,(H,23,26)(H,24,27).
What are the key properties of [1-(benzylamino)-1-oxopropan-2-yl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate?
[1-(benzylamino)-1-oxopropan-2-yl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate has a molecular weight of 430.46 g/mol, XLogP of 1.69, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzylamino)-1-oxopropan-2-yl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate is sourced from PubChem (CID 55320288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).