butyl 2-[bis(2-ethoxyethyl)amino]acetate

C14H29NO4 — CID 82951802

IUPACbutyl 2-[bis(2-ethoxyethyl)amino]acetate
SMILESCCCCOC(=O)CN(CCOCC)CCOCC
InChIInChI=1S/C14H29NO4/c1-4-7-10-19-14(16)13-15(8-11-17-5-2)9-12-18-6-3/h4-13H2,1-3H3
InChIKeyYKDAISWPWLAJEX-UHFFFAOYSA-N
MW275.39 g/mol
LogP1.70
Rot. Bonds13

About butyl 2-[bis(2-ethoxyethyl)amino]acetate

butyl 2-[bis(2-ethoxyethyl)amino]acetate (PubChem CID 82951802) has the molecular formula C14H29NO4 and a molecular weight of 275.39 g/mol. Its IUPAC name is butyl 2-[bis(2-ethoxyethyl)amino]acetate.

Molecular Properties

Compound Namebutyl 2-[bis(2-ethoxyethyl)amino]acetate
PubChem CID82951802
Molecular FormulaC14H29NO4
Molecular Weight275.39 g/mol
Exact Mass275.21
IUPAC Namebutyl 2-[bis(2-ethoxyethyl)amino]acetate
SMILESCCCCOC(=O)CN(CCOCC)CCOCC
InChIInChI=1S/C14H29NO4/c1-4-7-10-19-14(16)13-15(8-11-17-5-2)9-12-18-6-3/h4-13H2,1-3H3
InChIKeyYKDAISWPWLAJEX-UHFFFAOYSA-N
XLogP1.70
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 51.70
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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Related Compounds

ethyl 2-[bis[2-(2-ethoxy-2-oxoethoxy)ethyl]amino]acetate
CID 102349258
methyl 2-[(2-butoxy-2-oxoethyl)-propylamino]acetate
CID 62012348
icosyl 3-[2-acetyloxyethyl(2-ethoxyethyl)amino]propanoate
CID 23544954
1-[bis(2-ethoxyethyl)amino]pentan-2-one
CID 82952185
2-[carboxymethyl-[2-[carboxymethyl-[2-(2-ethoxyethoxy)-2-oxoethyl]amino]ethyl]amino]acetic acid
CID 174960302
butyl 2-(dimethylamino)acetate;methane
CID 157088664
butyl 3-[bis(3-butoxy-3-oxopropyl)amino]propanoate
CID 59204058
9-[dodecyl(hydroxy)amino]nonyl 2-(didecylamino)acetate
CID 171586143
butyl 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetate
CID 107480814
N,N-bis(2-ethoxyethyl)butan-1-amine
CID 91213413
butyl 2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]acetate
CID 61067683
butyl 2-[2-[2-(2-butoxy-2-oxoethoxy)ethoxy]ethoxy]acetate
CID 18318669

Frequently Asked Questions

What is the IUPAC name of butyl 2-[bis(2-ethoxyethyl)amino]acetate?
The IUPAC name of butyl 2-[bis(2-ethoxyethyl)amino]acetate (CID 82951802) is butyl 2-[bis(2-ethoxyethyl)amino]acetate.
What is the SMILES notation for butyl 2-[bis(2-ethoxyethyl)amino]acetate?
The canonical SMILES for butyl 2-[bis(2-ethoxyethyl)amino]acetate is CCCCOC(=O)CN(CCOCC)CCOCC.
What is the InChIKey of butyl 2-[bis(2-ethoxyethyl)amino]acetate?
The InChIKey is YKDAISWPWLAJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO4/c1-4-7-10-19-14(16)13-15(8-11-17-5-2)9-12-18-6-3/h4-13H2,1-3H3.
What are the key properties of butyl 2-[bis(2-ethoxyethyl)amino]acetate?
butyl 2-[bis(2-ethoxyethyl)amino]acetate has a molecular weight of 275.39 g/mol, XLogP of 1.70, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[bis(2-ethoxyethyl)amino]acetate is sourced from PubChem (CID 82951802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).