ethyl 2-[(3-ethoxy-4-methoxybenzoyl)amino]acetate

C14H19NO5 — CID 47257630

IUPACethyl 2-[(3-ethoxy-4-methoxybenzoyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1ccc(OC)c(OCC)c1
InChIInChI=1S/C14H19NO5/c1-4-19-12-8-10(6-7-11(12)18-3)14(17)15-9-13(16)20-5-2/h6-8H,4-5,9H2,1-3H3,(H,15,17)
InChIKeyLTTMKMFNVBDDJF-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.39
Rot. Bonds7

About ethyl 2-[(3-ethoxy-4-methoxybenzoyl)amino]acetate

ethyl 2-[(3-ethoxy-4-methoxybenzoyl)amino]acetate (PubChem CID 47257630) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is ethyl 2-[(3-ethoxy-4-methoxybenzoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-ethoxy-4-methoxybenzoyl)amino]acetate
PubChem CID47257630
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Nameethyl 2-[(3-ethoxy-4-methoxybenzoyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1ccc(OC)c(OCC)c1
InChIInChI=1S/C14H19NO5/c1-4-19-12-8-10(6-7-11(12)18-3)14(17)15-9-13(16)20-5-2/h6-8H,4-5,9H2,1-3H3,(H,15,17)
InChIKeyLTTMKMFNVBDDJF-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

propyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 46526157
3-ethoxy-4-methoxy-N-prop-2-ynylbenzamide
CID 18109976
ethyl 2-[2-[(3,4-dimethoxybenzoyl)amino]ethylsulfonylamino]acetate
CID 7618819
4-ethoxy-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 78786050
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate
CID 29154774
2-(3-methylphenoxy)ethyl 2-[(3,4-diethoxybenzoyl)amino]acetate
CID 42965613
1,2-bis(3-ethoxy-4-methoxyphenyl)ethane-1,2-dione
CID 126457801
3-ethoxy-N-(5-hydroxypentyl)-4-methoxybenzamide
CID 107319012
(2S)-3-[(3-ethoxy-4-methoxybenzoyl)amino]-2-hydroxypropanoic acid
CID 107833549
ethyl 4-[(3-ethoxy-4-methoxybenzoyl)amino]benzoate
CID 2988460
3-[(3-ethoxy-4-methoxybenzoyl)amino]-2-methylpropanoic acid
CID 62675508
3-[(3-ethoxy-4-methoxybenzoyl)amino]-2-hydroxypropanoic acid
CID 66166244

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-ethoxy-4-methoxybenzoyl)amino]acetate?
The IUPAC name of ethyl 2-[(3-ethoxy-4-methoxybenzoyl)amino]acetate (CID 47257630) is ethyl 2-[(3-ethoxy-4-methoxybenzoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(3-ethoxy-4-methoxybenzoyl)amino]acetate?
The canonical SMILES for ethyl 2-[(3-ethoxy-4-methoxybenzoyl)amino]acetate is CCOC(=O)CNC(=O)c1ccc(OC)c(OCC)c1.
What is the InChIKey of ethyl 2-[(3-ethoxy-4-methoxybenzoyl)amino]acetate?
The InChIKey is LTTMKMFNVBDDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-4-19-12-8-10(6-7-11(12)18-3)14(17)15-9-13(16)20-5-2/h6-8H,4-5,9H2,1-3H3,(H,15,17).
What are the key properties of ethyl 2-[(3-ethoxy-4-methoxybenzoyl)amino]acetate?
ethyl 2-[(3-ethoxy-4-methoxybenzoyl)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 ethyl 2-[(3-ethoxy-4-methoxybenzoyl)amino]acetate is sourced from PubChem (CID 47257630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).