ethyl 3-[bis(2-ethoxyethyl)amino]butanoate

C14H29NO4 — CID 82951064

IUPACethyl 3-[bis(2-ethoxyethyl)amino]butanoate
SMILESCCOCCN(CCOCC)C(C)CC(=O)OCC
InChIInChI=1S/C14H29NO4/c1-5-17-10-8-15(9-11-18-6-2)13(4)12-14(16)19-7-3/h13H,5-12H2,1-4H3
InChIKeyLWWQMKSMKZPVLW-UHFFFAOYSA-N
MW275.39 g/mol
LogP1.70
Rot. Bonds12

About ethyl 3-[bis(2-ethoxyethyl)amino]butanoate

ethyl 3-[bis(2-ethoxyethyl)amino]butanoate (PubChem CID 82951064) has the molecular formula C14H29NO4 and a molecular weight of 275.39 g/mol. Its IUPAC name is ethyl 3-[bis(2-ethoxyethyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 3-[bis(2-ethoxyethyl)amino]butanoate
PubChem CID82951064
Molecular FormulaC14H29NO4
Molecular Weight275.39 g/mol
Exact Mass275.21
IUPAC Nameethyl 3-[bis(2-ethoxyethyl)amino]butanoate
SMILESCCOCCN(CCOCC)C(C)CC(=O)OCC
InChIInChI=1S/C14H29NO4/c1-5-17-10-8-15(9-11-18-6-2)13(4)12-14(16)19-7-3/h13H,5-12H2,1-4H3
InChIKeyLWWQMKSMKZPVLW-UHFFFAOYSA-N
XLogP1.70
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
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 3-[bis(3-methylbutyl)amino]butanoate
CID 107870305
ethyl 3-[2-methoxyethyl-(3-methoxy-3-oxopropyl)amino]butanoate
CID 113330781
4-[2-ethoxyethyl(ethyl)amino]pentan-2-one
CID 64696903
ethyl 3-[hydroxy(methyl)amino]butanoate
CID 131856293
ethyl 3-[bis(2-amino-2-oxoethyl)amino]butanoate
CID 62922968
ethyl 3-[2-ethoxyethyl-(3-ethoxy-3-oxopropyl)amino]propanoate
CID 151749760
ethyl 3-(dimethylamino)butanoate
CID 3020377
2-ethoxyethyl 3,4-dimethylpentanoate
CID 142740065
4-amino-N,N-bis(2-ethoxyethyl)-3-methylbutanamide
CID 82964992
2-(2-ethoxyethoxy)ethyl 3-methylbutanoate
CID 91696182
ethyl 3-[3-ethoxypropyl(methyl)amino]propanoate
CID 65180568
ethyl 2-[2-[1-hydroxypropan-2-yl(methyl)amino]ethoxy]acetate
CID 104552544

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[bis(2-ethoxyethyl)amino]butanoate?
The IUPAC name of ethyl 3-[bis(2-ethoxyethyl)amino]butanoate (CID 82951064) is ethyl 3-[bis(2-ethoxyethyl)amino]butanoate.
What is the SMILES notation for ethyl 3-[bis(2-ethoxyethyl)amino]butanoate?
The canonical SMILES for ethyl 3-[bis(2-ethoxyethyl)amino]butanoate is CCOCCN(CCOCC)C(C)CC(=O)OCC.
What is the InChIKey of ethyl 3-[bis(2-ethoxyethyl)amino]butanoate?
The InChIKey is LWWQMKSMKZPVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO4/c1-5-17-10-8-15(9-11-18-6-2)13(4)12-14(16)19-7-3/h13H,5-12H2,1-4H3.
What are the key properties of ethyl 3-[bis(2-ethoxyethyl)amino]butanoate?
ethyl 3-[bis(2-ethoxyethyl)amino]butanoate has a molecular weight of 275.39 g/mol, XLogP of 1.70, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[bis(2-ethoxyethyl)amino]butanoate is sourced from PubChem (CID 82951064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).