ethyl 4-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)butanoate

C15H32N2O3 — CID 82959677

IUPACethyl 4-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)butanoate
SMILESCCCNC(CCN(CCOC)C(C)C)C(=O)OCC
InChIInChI=1S/C15H32N2O3/c1-6-9-16-14(15(18)20-7-2)8-10-17(13(3)4)11-12-19-5/h13-14,16H,6-12H2,1-5H3
InChIKeyJONGCYCJODLVSP-UHFFFAOYSA-N
MW288.43 g/mol
LogP1.66
Rot. Bonds12

About ethyl 4-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)butanoate

ethyl 4-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)butanoate (PubChem CID 82959677) has the molecular formula C15H32N2O3 and a molecular weight of 288.43 g/mol. Its IUPAC name is ethyl 4-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)butanoate
PubChem CID82959677
Molecular FormulaC15H32N2O3
Molecular Weight288.43 g/mol
Exact Mass288.24
IUPAC Nameethyl 4-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)butanoate
SMILESCCCNC(CCN(CCOC)C(C)C)C(=O)OCC
InChIInChI=1S/C15H32N2O3/c1-6-9-16-14(15(18)20-7-2)8-10-17(13(3)4)11-12-19-5/h13-14,16H,6-12H2,1-5H3
InChIKeyJONGCYCJODLVSP-UHFFFAOYSA-N
XLogP1.66
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)butanoate
CID 82959551
ethyl 4-[methyl(propan-2-yl)amino]-2-(propylamino)butanoate
CID 63029941
4-[butan-2-yl(2-methoxyethyl)amino]-2-(propylamino)butanoic acid
CID 63054650
ethyl 2-(ethylamino)-4-[pentyl(propan-2-yl)amino]butanoate
CID 63054301
ethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pentanoate
CID 83041631
ethyl 4-[methyl(3-methylbutyl)amino]-2-(propylamino)butanoate
CID 63055201
ethyl 2-(propylamino)pentanoate
CID 21021838
ethyl 4-[ethyl(methyl)amino]-2-(propylamino)butanoate
CID 63028998
methyl 2-(ethylamino)-4-[propan-2-yl(propyl)amino]butanoate
CID 63028254
4-[2-methylpropyl(propan-2-yl)amino]-2-(propylamino)butanamide
CID 63053089
methyl 4-(dimethylamino)-2-(propylamino)butanoate
CID 63027229
ethyl 2-(ethylamino)-4-methoxybutanoate
CID 63041386

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)butanoate?
The IUPAC name of ethyl 4-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)butanoate (CID 82959677) is ethyl 4-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)butanoate.
What is the SMILES notation for ethyl 4-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)butanoate?
The canonical SMILES for ethyl 4-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)butanoate is CCCNC(CCN(CCOC)C(C)C)C(=O)OCC.
What is the InChIKey of ethyl 4-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)butanoate?
The InChIKey is JONGCYCJODLVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O3/c1-6-9-16-14(15(18)20-7-2)8-10-17(13(3)4)11-12-19-5/h13-14,16H,6-12H2,1-5H3.
What are the key properties of ethyl 4-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)butanoate?
ethyl 4-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)butanoate has a molecular weight of 288.43 g/mol, XLogP of 1.66, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)butanoate is sourced from PubChem (CID 82959677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).