ethyl 3-[2-(3-methoxypropoxy)ethoxy]-2-(propylamino)propanoate

C14H29NO5 — CID 103180054

IUPACethyl 3-[2-(3-methoxypropoxy)ethoxy]-2-(propylamino)propanoate
SMILESCCCNC(COCCOCCCOC)C(=O)OCC
InChIInChI=1S/C14H29NO5/c1-4-7-15-13(14(16)20-5-2)12-19-11-10-18-9-6-8-17-3/h13,15H,4-12H2,1-3H3
InChIKeyICSSZACAWLUAOX-UHFFFAOYSA-N
MW291.39 g/mol
LogP0.99
Rot. Bonds14

About ethyl 3-[2-(3-methoxypropoxy)ethoxy]-2-(propylamino)propanoate

ethyl 3-[2-(3-methoxypropoxy)ethoxy]-2-(propylamino)propanoate (PubChem CID 103180054) has the molecular formula C14H29NO5 and a molecular weight of 291.39 g/mol. Its IUPAC name is ethyl 3-[2-(3-methoxypropoxy)ethoxy]-2-(propylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-[2-(3-methoxypropoxy)ethoxy]-2-(propylamino)propanoate
PubChem CID103180054
Molecular FormulaC14H29NO5
Molecular Weight291.39 g/mol
Exact Mass291.20
IUPAC Nameethyl 3-[2-(3-methoxypropoxy)ethoxy]-2-(propylamino)propanoate
SMILESCCCNC(COCCOCCCOC)C(=O)OCC
InChIInChI=1S/C14H29NO5/c1-4-7-15-13(14(16)20-5-2)12-19-11-10-18-9-6-8-17-3/h13,15H,4-12H2,1-3H3
InChIKeyICSSZACAWLUAOX-UHFFFAOYSA-N
XLogP0.99
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
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

ethyl 3-[2-(2-methoxyethoxy)ethoxy]-2-(propan-2-ylamino)propanoate
CID 113427286
ethyl 3-(2-methoxyethoxy)-2-methylpropanoate
CID 114997793
ethyl 3-(2-butoxyethoxy)-2-methylpropanoate
CID 115002806
ethyl 2-(propylamino)butanoate
CID 60795885
3-[2-(2-methylpropoxy)ethoxy]-2-(propylamino)propanamide
CID 106448880
ethyl 2-(propylamino)pentanoate
CID 21021838
ethyl 3-(2-methoxyethoxy)propyl carbonate
CID 87247585
ethyl 4-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)butanoate
CID 82959677
2-(ethylamino)-3-[2-(2-methoxyethoxy)ethoxy]propanoic acid
CID 104565225
N-[1-cyclopropyl-2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine
CID 104560815
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-(propylamino)butan-1-ol
CID 104560529
ethyl 4-(3,3-dimethylbutoxy)-2-(propylamino)butanoate
CID 66224989

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(3-methoxypropoxy)ethoxy]-2-(propylamino)propanoate?
The IUPAC name of ethyl 3-[2-(3-methoxypropoxy)ethoxy]-2-(propylamino)propanoate (CID 103180054) is ethyl 3-[2-(3-methoxypropoxy)ethoxy]-2-(propylamino)propanoate.
What is the SMILES notation for ethyl 3-[2-(3-methoxypropoxy)ethoxy]-2-(propylamino)propanoate?
The canonical SMILES for ethyl 3-[2-(3-methoxypropoxy)ethoxy]-2-(propylamino)propanoate is CCCNC(COCCOCCCOC)C(=O)OCC.
What is the InChIKey of ethyl 3-[2-(3-methoxypropoxy)ethoxy]-2-(propylamino)propanoate?
The InChIKey is ICSSZACAWLUAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO5/c1-4-7-15-13(14(16)20-5-2)12-19-11-10-18-9-6-8-17-3/h13,15H,4-12H2,1-3H3.
What are the key properties of ethyl 3-[2-(3-methoxypropoxy)ethoxy]-2-(propylamino)propanoate?
ethyl 3-[2-(3-methoxypropoxy)ethoxy]-2-(propylamino)propanoate has a molecular weight of 291.39 g/mol, XLogP of 0.99, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(3-methoxypropoxy)ethoxy]-2-(propylamino)propanoate is sourced from PubChem (CID 103180054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).