ethyl 2-[butan-2-yl(2-methoxyethyl)amino]pentanoate

C14H29NO3 — CID 83041497

IUPACethyl 2-[butan-2-yl(2-methoxyethyl)amino]pentanoate
SMILESCCCC(C(=O)OCC)N(CCOC)C(C)CC
InChIInChI=1S/C14H29NO3/c1-6-9-13(14(16)18-8-3)15(10-11-17-5)12(4)7-2/h12-13H,6-11H2,1-5H3
InChIKeyNRFKCIPBQMCGQF-UHFFFAOYSA-N
MW259.39 g/mol
LogP2.47
Rot. Bonds10

About ethyl 2-[butan-2-yl(2-methoxyethyl)amino]pentanoate

ethyl 2-[butan-2-yl(2-methoxyethyl)amino]pentanoate (PubChem CID 83041497) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is ethyl 2-[butan-2-yl(2-methoxyethyl)amino]pentanoate.

Molecular Properties

Compound Nameethyl 2-[butan-2-yl(2-methoxyethyl)amino]pentanoate
PubChem CID83041497
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Nameethyl 2-[butan-2-yl(2-methoxyethyl)amino]pentanoate
SMILESCCCC(C(=O)OCC)N(CCOC)C(C)CC
InChIInChI=1S/C14H29NO3/c1-6-9-13(14(16)18-8-3)15(10-11-17-5)12(4)7-2/h12-13H,6-11H2,1-5H3
InChIKeyNRFKCIPBQMCGQF-UHFFFAOYSA-N
XLogP2.47
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[bis(2-methoxyethyl)amino]pentanoate
CID 10912289
4-amino-2-[butan-2-yl(2-methoxyethyl)amino]butanoic acid
CID 64693788
3-amino-2-[butan-2-yl(2-methoxyethyl)amino]propan-1-ol
CID 104710921
ethyl 2-amino-4-[butan-2-yl(2-methoxyethyl)amino]butanoate
CID 63055186
ethyl 2-[2-methoxyethyl(3-methoxypropyl)amino]butanoate
CID 64660449
4-amino-3-[butan-2-yl(2-methoxyethyl)amino]-N-propylbutanamide
CID 66428258
tert-butyl 2-[butan-2-yl(2-methoxyethyl)amino]propanoate
CID 64688775
4-amino-3-[2-methoxyethyl(pentan-3-yl)amino]-N,N-dimethylbutanamide
CID 66431664
4-amino-2-[2-methoxyethyl(pentan-3-yl)amino]butanoic acid
CID 64694411
3-[butan-2-yl(2-methoxyethyl)amino]-2-methylbutanehydrazide
CID 79408378
ethyl 2-[2-methoxyethyl-(3-methoxy-3-oxopropyl)amino]butanoate
CID 113330797
ethyl 2-(methoxymethyl)pentanoate
CID 141084723

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[butan-2-yl(2-methoxyethyl)amino]pentanoate?
The IUPAC name of ethyl 2-[butan-2-yl(2-methoxyethyl)amino]pentanoate (CID 83041497) is ethyl 2-[butan-2-yl(2-methoxyethyl)amino]pentanoate.
What is the SMILES notation for ethyl 2-[butan-2-yl(2-methoxyethyl)amino]pentanoate?
The canonical SMILES for ethyl 2-[butan-2-yl(2-methoxyethyl)amino]pentanoate is CCCC(C(=O)OCC)N(CCOC)C(C)CC.
What is the InChIKey of ethyl 2-[butan-2-yl(2-methoxyethyl)amino]pentanoate?
The InChIKey is NRFKCIPBQMCGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-6-9-13(14(16)18-8-3)15(10-11-17-5)12(4)7-2/h12-13H,6-11H2,1-5H3.
What are the key properties of ethyl 2-[butan-2-yl(2-methoxyethyl)amino]pentanoate?
ethyl 2-[butan-2-yl(2-methoxyethyl)amino]pentanoate has a molecular weight of 259.39 g/mol, XLogP of 2.47, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[butan-2-yl(2-methoxyethyl)amino]pentanoate is sourced from PubChem (CID 83041497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).