propyl 2-[(3,4-dimethoxybenzoyl)amino]acetate

C14H19NO5 — CID 46526157

IUPACpropyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
SMILESCCCOC(=O)CNC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H19NO5/c1-4-7-20-13(16)9-15-14(17)10-5-6-11(18-2)12(8-10)19-3/h5-6,8H,4,7,9H2,1-3H3,(H,15,17)
InChIKeyUNGSXMCCXVBEFO-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.39
Rot. Bonds7

About propyl 2-[(3,4-dimethoxybenzoyl)amino]acetate

propyl 2-[(3,4-dimethoxybenzoyl)amino]acetate (PubChem CID 46526157) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is propyl 2-[(3,4-dimethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Namepropyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
PubChem CID46526157
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Namepropyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
SMILESCCCOC(=O)CNC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H19NO5/c1-4-7-20-13(16)9-15-14(17)10-5-6-11(18-2)12(8-10)19-3/h5-6,8H,4,7,9H2,1-3H3,(H,15,17)
InChIKeyUNGSXMCCXVBEFO-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

ethyl 2-[(3-ethoxy-4-methoxybenzoyl)amino]acetate
CID 47257630
2-(4-chlorophenoxy)ethyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 3524412
N-(2-amino-2-oxoethyl)-4-butoxy-3-methoxybenzamide
CID 9295314
(2,6-dichlorophenyl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 8933305
N-(2-aminooxyethyl)-3,4-dimethoxybenzamide
CID 92931840
N-(2-amino-2-methylpropyl)-4-butoxy-3-methoxybenzamide
CID 119628351
[2-oxo-2-(propylamino)ethyl] 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate
CID 7580652
3,4-dimethoxy-N-octadecylbenzamide
CID 20530777
N-[2-(aminomethyl)-2-ethylbutyl]-3,4-dimethoxybenzamide
CID 106250783
3,4-dimethoxy-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 51166529
1-cyanoethyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 18206879
ethyl 2-[2-[(3,4-dimethoxybenzoyl)amino]ethylsulfonylamino]acetate
CID 7618819

Frequently Asked Questions

What is the IUPAC name of propyl 2-[(3,4-dimethoxybenzoyl)amino]acetate?
The IUPAC name of propyl 2-[(3,4-dimethoxybenzoyl)amino]acetate (CID 46526157) is propyl 2-[(3,4-dimethoxybenzoyl)amino]acetate.
What is the SMILES notation for propyl 2-[(3,4-dimethoxybenzoyl)amino]acetate?
The canonical SMILES for propyl 2-[(3,4-dimethoxybenzoyl)amino]acetate is CCCOC(=O)CNC(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of propyl 2-[(3,4-dimethoxybenzoyl)amino]acetate?
The InChIKey is UNGSXMCCXVBEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-4-7-20-13(16)9-15-14(17)10-5-6-11(18-2)12(8-10)19-3/h5-6,8H,4,7,9H2,1-3H3,(H,15,17).
What are the key properties of propyl 2-[(3,4-dimethoxybenzoyl)amino]acetate?
propyl 2-[(3,4-dimethoxybenzoyl)amino]acetate 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 propyl 2-[(3,4-dimethoxybenzoyl)amino]acetate is sourced from PubChem (CID 46526157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).