methyl 2-(N-[2-(2-methoxyethoxy)acetyl]-2,3,6-trimethylanilino)propanoate

C18H27NO5 — CID 12894047

IUPACmethyl 2-(N-[2-(2-methoxyethoxy)acetyl]-2,3,6-trimethylanilino)propanoate
SMILESCOCCOCC(=O)N(c1c(C)ccc(C)c1C)C(C)C(=O)OC
InChIInChI=1S/C18H27NO5/c1-12-7-8-13(2)17(14(12)3)19(15(4)18(21)23-6)16(20)11-24-10-9-22-5/h7-8,15H,9-11H2,1-6H3
InChIKeyKGZHUKFFGMWWLU-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.17
Rot. Bonds8

About methyl 2-(N-[2-(2-methoxyethoxy)acetyl]-2,3,6-trimethylanilino)propanoate

methyl 2-(N-[2-(2-methoxyethoxy)acetyl]-2,3,6-trimethylanilino)propanoate (PubChem CID 12894047) has the molecular formula C18H27NO5 and a molecular weight of 337.42 g/mol. Its IUPAC name is methyl 2-(N-[2-(2-methoxyethoxy)acetyl]-2,3,6-trimethylanilino)propanoate.

Molecular Properties

Compound Namemethyl 2-(N-[2-(2-methoxyethoxy)acetyl]-2,3,6-trimethylanilino)propanoate
PubChem CID12894047
Molecular FormulaC18H27NO5
Molecular Weight337.42 g/mol
Exact Mass337.19
IUPAC Namemethyl 2-(N-[2-(2-methoxyethoxy)acetyl]-2,3,6-trimethylanilino)propanoate
SMILESCOCCOCC(=O)N(c1c(C)ccc(C)c1C)C(C)C(=O)OC
InChIInChI=1S/C18H27NO5/c1-12-7-8-13(2)17(14(12)3)19(15(4)18(21)23-6)16(20)11-24-10-9-22-5/h7-8,15H,9-11H2,1-6H3
InChIKeyKGZHUKFFGMWWLU-UHFFFAOYSA-N
XLogP2.17
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(N-[2-(2-methoxyethoxy)acetyl]-2,3,6-trimethylanilino)propanoate?
The IUPAC name of methyl 2-(N-[2-(2-methoxyethoxy)acetyl]-2,3,6-trimethylanilino)propanoate (CID 12894047) is methyl 2-(N-[2-(2-methoxyethoxy)acetyl]-2,3,6-trimethylanilino)propanoate.
What is the SMILES notation for methyl 2-(N-[2-(2-methoxyethoxy)acetyl]-2,3,6-trimethylanilino)propanoate?
The canonical SMILES for methyl 2-(N-[2-(2-methoxyethoxy)acetyl]-2,3,6-trimethylanilino)propanoate is COCCOCC(=O)N(c1c(C)ccc(C)c1C)C(C)C(=O)OC.
What is the InChIKey of methyl 2-(N-[2-(2-methoxyethoxy)acetyl]-2,3,6-trimethylanilino)propanoate?
The InChIKey is KGZHUKFFGMWWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO5/c1-12-7-8-13(2)17(14(12)3)19(15(4)18(21)23-6)16(20)11-24-10-9-22-5/h7-8,15H,9-11H2,1-6H3.
What are the key properties of methyl 2-(N-[2-(2-methoxyethoxy)acetyl]-2,3,6-trimethylanilino)propanoate?
methyl 2-(N-[2-(2-methoxyethoxy)acetyl]-2,3,6-trimethylanilino)propanoate has a molecular weight of 337.42 g/mol, XLogP of 2.17, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(N-[2-(2-methoxyethoxy)acetyl]-2,3,6-trimethylanilino)propanoate is sourced from PubChem (CID 12894047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).