ethyl 2-[(3,5-dimethoxybenzoyl)amino]acetate

C13H17NO5 — CID 3118688

IUPACethyl 2-[(3,5-dimethoxybenzoyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C13H17NO5/c1-4-19-12(15)8-14-13(16)9-5-10(17-2)7-11(6-9)18-3/h5-7H,4,8H2,1-3H3,(H,14,16)
InChIKeyLRLAGTZUEVMKAT-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.00
Rot. Bonds6

About ethyl 2-[(3,5-dimethoxybenzoyl)amino]acetate

ethyl 2-[(3,5-dimethoxybenzoyl)amino]acetate (PubChem CID 3118688) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is ethyl 2-[(3,5-dimethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3,5-dimethoxybenzoyl)amino]acetate
PubChem CID3118688
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Nameethyl 2-[(3,5-dimethoxybenzoyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C13H17NO5/c1-4-19-12(15)8-14-13(16)9-5-10(17-2)7-11(6-9)18-3/h5-7H,4,8H2,1-3H3,(H,14,16)
InChIKeyLRLAGTZUEVMKAT-UHFFFAOYSA-N
XLogP1.00
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Capobenic Acid
CID 30627
Benzamide, N-tetrahydrofurfuryl-3-methoxy-
CID 531836
3,5-dimethoxy-N-(4-phenylbutan-2-yl)benzamide
CID 2915995
N-(3,4,5-Trimethoxybenzoyl)glycine
CID 221611
(3,3-Dimethyl-2-oxobutyl) 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 2441577
N-benzhydryl-3,5-dimethoxybenzamide
CID 873122
2-Benzamidoethyl 3,4,5-trimethoxybenzoate
CID 1940983
[2-(Furan-2-ylmethylamino)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 2120540
3,5-dimethoxy-N-(morpholin-4-yl)benzamide
CID 4215570
4-(3,5-Dimethoxy-4-methylbenzoyl)piperazin-2-one
CID 4790851
3,5-dimethoxy-4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 4827012
[1-[1-(2-Bicyclo[2.2.1]heptanyl)ethylamino]-1-oxopropan-2-yl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 4830601

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3,5-dimethoxybenzoyl)amino]acetate?
The IUPAC name of ethyl 2-[(3,5-dimethoxybenzoyl)amino]acetate (CID 3118688) is ethyl 2-[(3,5-dimethoxybenzoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(3,5-dimethoxybenzoyl)amino]acetate?
The canonical SMILES for ethyl 2-[(3,5-dimethoxybenzoyl)amino]acetate is CCOC(=O)CNC(=O)c1cc(OC)cc(OC)c1.
What is the InChIKey of ethyl 2-[(3,5-dimethoxybenzoyl)amino]acetate?
The InChIKey is LRLAGTZUEVMKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-4-19-12(15)8-14-13(16)9-5-10(17-2)7-11(6-9)18-3/h5-7H,4,8H2,1-3H3,(H,14,16).
What are the key properties of ethyl 2-[(3,5-dimethoxybenzoyl)amino]acetate?
ethyl 2-[(3,5-dimethoxybenzoyl)amino]acetate has a molecular weight of 267.28 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3,5-dimethoxybenzoyl)amino]acetate is sourced from PubChem (CID 3118688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).