butyl 3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propanoate

C14H29NO5 — CID 150053438

IUPACbutyl 3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propanoate
SMILESCCCCOC(=O)CCOCCOCCOCCNC
InChIInChI=1S/C14H29NO5/c1-3-4-7-20-14(16)5-8-17-10-12-19-13-11-18-9-6-15-2/h15H,3-13H2,1-2H3
InChIKeyDLUBFVUCYFBCPJ-UHFFFAOYSA-N
MW291.39 g/mol
LogP0.99
Rot. Bonds15

About butyl 3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propanoate

butyl 3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propanoate (PubChem CID 150053438) has the molecular formula C14H29NO5 and a molecular weight of 291.39 g/mol. Its IUPAC name is butyl 3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propanoate.

Molecular Properties

Compound Namebutyl 3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propanoate
PubChem CID150053438
Molecular FormulaC14H29NO5
Molecular Weight291.39 g/mol
Exact Mass291.20
IUPAC Namebutyl 3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propanoate
SMILESCCCCOC(=O)CCOCCOCCOCCNC
InChIInChI=1S/C14H29NO5/c1-3-4-7-20-14(16)5-8-17-10-12-19-13-11-18-9-6-15-2/h15H,3-13H2,1-2H3
InChIKeyDLUBFVUCYFBCPJ-UHFFFAOYSA-N
XLogP0.99
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

butyl 6-(methylamino)hexanoate
CID 14437323
hexyl 3-heptoxypropanoate
CID 101325522
butyl 3-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]propanoate
CID 166810956
2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine
CID 104561249
propyl 3-(3-octoxy-3-oxopropoxy)propanoate
CID 101454234
2-(2-butoxyethoxy)ethyl pentanoate
CID 57063058
3-[3-[3-(3-butoxypropoxy)propoxy]propoxy]propyl 4-[4-[3-[3-[3-(3-butoxypropoxy)propoxy]propoxy]propoxy]-4-oxobutoxy]butanoate
CID 139796293
butyl 3-[2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethylcarbamoyloxy]ethoxy]ethoxy]propanoate
CID 146552245
2-butoxyethyl octadecanoate;butyl octadecanoate
CID 162130096
hexadecyl 4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]butanoate
CID 121469559
butyl 4-[2-(2-octoxyethoxy)ethoxy]butanoate
CID 121469779
2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine;ethane
CID 153390754

Frequently Asked Questions

What is the IUPAC name of butyl 3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propanoate?
The IUPAC name of butyl 3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propanoate (CID 150053438) is butyl 3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propanoate.
What is the SMILES notation for butyl 3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propanoate?
The canonical SMILES for butyl 3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propanoate is CCCCOC(=O)CCOCCOCCOCCNC.
What is the InChIKey of butyl 3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propanoate?
The InChIKey is DLUBFVUCYFBCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO5/c1-3-4-7-20-14(16)5-8-17-10-12-19-13-11-18-9-6-15-2/h15H,3-13H2,1-2H3.
What are the key properties of butyl 3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propanoate?
butyl 3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propanoate has a molecular weight of 291.39 g/mol, XLogP of 0.99, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propanoate is sourced from PubChem (CID 150053438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).