ethyl 3-[(2,4-dimethoxybenzoyl)amino]propanoate

C14H19NO5 — CID 47437682

IUPACethyl 3-[(2,4-dimethoxybenzoyl)amino]propanoate
SMILESCCOC(=O)CCNC(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C14H19NO5/c1-4-20-13(16)7-8-15-14(17)11-6-5-10(18-2)9-12(11)19-3/h5-6,9H,4,7-8H2,1-3H3,(H,15,17)
InChIKeyRQIQHIMMTORSCC-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.39
Rot. Bonds7

About ethyl 3-[(2,4-dimethoxybenzoyl)amino]propanoate

ethyl 3-[(2,4-dimethoxybenzoyl)amino]propanoate (PubChem CID 47437682) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is ethyl 3-[(2,4-dimethoxybenzoyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(2,4-dimethoxybenzoyl)amino]propanoate
PubChem CID47437682
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Nameethyl 3-[(2,4-dimethoxybenzoyl)amino]propanoate
SMILESCCOC(=O)CCNC(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C14H19NO5/c1-4-20-13(16)7-8-15-14(17)11-6-5-10(18-2)9-12(11)19-3/h5-6,9H,4,7-8H2,1-3H3,(H,15,17)
InChIKeyRQIQHIMMTORSCC-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

N-(2-hydroxyethyl)-2,4-dimethoxybenzamide
CID 43389009
N-[8-[(2,4-dimethoxybenzoyl)amino]octyl]-2,4-dimethoxybenzamide
CID 3517424
N-[6-[(2,4-dimethoxybenzoyl)amino]hexyl]-2,4-dimethoxybenzamide
CID 4051354
ethyl 3-(2,4-dimethoxyanilino)propanoate
CID 23052898
N-(3-hydroxypropyl)-2,4-dimethoxybenzamide
CID 43390013
ethyl 8-(2,4-dimethoxyphenyl)-8-oxooctanoate
CID 24727597
N-[3-(ethylamino)propyl]-2,4-dimethoxybenzamide
CID 43601745
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827506
N-(2-aminobutyl)-2,4-dimethoxybenzamide
CID 63731362
ethyl 4-[(2-methoxybenzoyl)amino]butanoate
CID 60637531
N-(3-chlorobutyl)-2,4-dimethoxybenzamide
CID 114301807
N-(2-hydroxy-2-methylbutyl)-2,4-dimethoxybenzamide
CID 65114811

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2,4-dimethoxybenzoyl)amino]propanoate?
The IUPAC name of ethyl 3-[(2,4-dimethoxybenzoyl)amino]propanoate (CID 47437682) is ethyl 3-[(2,4-dimethoxybenzoyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[(2,4-dimethoxybenzoyl)amino]propanoate?
The canonical SMILES for ethyl 3-[(2,4-dimethoxybenzoyl)amino]propanoate is CCOC(=O)CCNC(=O)c1ccc(OC)cc1OC.
What is the InChIKey of ethyl 3-[(2,4-dimethoxybenzoyl)amino]propanoate?
The InChIKey is RQIQHIMMTORSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-4-20-13(16)7-8-15-14(17)11-6-5-10(18-2)9-12(11)19-3/h5-6,9H,4,7-8H2,1-3H3,(H,15,17).
What are the key properties of ethyl 3-[(2,4-dimethoxybenzoyl)amino]propanoate?
ethyl 3-[(2,4-dimethoxybenzoyl)amino]propanoate 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 3-[(2,4-dimethoxybenzoyl)amino]propanoate is sourced from PubChem (CID 47437682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).