ethyl 2-[2-(2,4-dimethoxyanilino)ethylamino]propanoate

C15H24N2O4 — CID 42847243

IUPACethyl 2-[2-(2,4-dimethoxyanilino)ethylamino]propanoate
SMILESCCOC(=O)C(C)NCCNc1ccc(OC)cc1OC
InChIInChI=1S/C15H24N2O4/c1-5-21-15(18)11(2)16-8-9-17-13-7-6-12(19-3)10-14(13)20-4/h6-7,10-11,16-17H,5,8-9H2,1-4H3
InChIKeyDNEWXVMVRGONJC-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.66
Rot. Bonds9

About ethyl 2-[2-(2,4-dimethoxyanilino)ethylamino]propanoate

ethyl 2-[2-(2,4-dimethoxyanilino)ethylamino]propanoate (PubChem CID 42847243) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is ethyl 2-[2-(2,4-dimethoxyanilino)ethylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-[2-(2,4-dimethoxyanilino)ethylamino]propanoate
PubChem CID42847243
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Nameethyl 2-[2-(2,4-dimethoxyanilino)ethylamino]propanoate
SMILESCCOC(=O)C(C)NCCNc1ccc(OC)cc1OC
InChIInChI=1S/C15H24N2O4/c1-5-21-15(18)11(2)16-8-9-17-13-7-6-12(19-3)10-14(13)20-4/h6-7,10-11,16-17H,5,8-9H2,1-4H3
InChIKeyDNEWXVMVRGONJC-UHFFFAOYSA-N
XLogP1.66
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-(2,4-dimethoxyanilino)propanoate
CID 23052898
2,4-dimethoxy-N-pentylaniline
CID 28570496
ethyl 2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate
CID 61498510
2-(2,4-dimethoxyanilino)-N-propylpropanamide
CID 43087415
ethyl N-(2,4-dimethoxyphenyl)carbamate
CID 2741048
N'-(2,4-dimethoxyphenyl)butane-1,4-diamine
CID 82114957
2-(2,4-dimethoxyanilino)-N-pentan-2-ylacetamide
CID 60688672
diethyl 2-(2,4-dimethoxyphenyl)propanedioate
CID 13193850
2-(2,4-dimethoxyanilino)-N-methylacetamide
CID 26510077
N-(2,4-dimethoxyphenyl)-2-methylbutane-1,4-diamine
CID 114987377
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3-methylpentanamide
CID 22690883
N'-(2,4-dimethoxyphenyl)-N-propyloxamide
CID 44995967

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2,4-dimethoxyanilino)ethylamino]propanoate?
The IUPAC name of ethyl 2-[2-(2,4-dimethoxyanilino)ethylamino]propanoate (CID 42847243) is ethyl 2-[2-(2,4-dimethoxyanilino)ethylamino]propanoate.
What is the SMILES notation for ethyl 2-[2-(2,4-dimethoxyanilino)ethylamino]propanoate?
The canonical SMILES for ethyl 2-[2-(2,4-dimethoxyanilino)ethylamino]propanoate is CCOC(=O)C(C)NCCNc1ccc(OC)cc1OC.
What is the InChIKey of ethyl 2-[2-(2,4-dimethoxyanilino)ethylamino]propanoate?
The InChIKey is DNEWXVMVRGONJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-5-21-15(18)11(2)16-8-9-17-13-7-6-12(19-3)10-14(13)20-4/h6-7,10-11,16-17H,5,8-9H2,1-4H3.
What are the key properties of ethyl 2-[2-(2,4-dimethoxyanilino)ethylamino]propanoate?
ethyl 2-[2-(2,4-dimethoxyanilino)ethylamino]propanoate has a molecular weight of 296.37 g/mol, XLogP of 1.66, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2,4-dimethoxyanilino)ethylamino]propanoate is sourced from PubChem (CID 42847243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).