2-propoxyethyl 3-(diethylamino)propanoate

C12H25NO3 — CID 58184879

IUPAC2-propoxyethyl 3-(diethylamino)propanoate
SMILESCCCOCCOC(=O)CCN(CC)CC
InChIInChI=1S/C12H25NO3/c1-4-9-15-10-11-16-12(14)7-8-13(5-2)6-3/h4-11H2,1-3H3
InChIKeyNFHLMIDHRKPQOG-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.69
Rot. Bonds10

About 2-propoxyethyl 3-(diethylamino)propanoate

2-propoxyethyl 3-(diethylamino)propanoate (PubChem CID 58184879) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-propoxyethyl 3-(diethylamino)propanoate.

Molecular Properties

Compound Name2-propoxyethyl 3-(diethylamino)propanoate
PubChem CID58184879
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name2-propoxyethyl 3-(diethylamino)propanoate
SMILESCCCOCCOC(=O)CCN(CC)CC
InChIInChI=1S/C12H25NO3/c1-4-9-15-10-11-16-12(14)7-8-13(5-2)6-3/h4-11H2,1-3H3
InChIKeyNFHLMIDHRKPQOG-UHFFFAOYSA-N
XLogP1.69
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethoxyethoxy)ethyl 3-[2-(diethylamino)ethylsulfanyl]propanoate
CID 164738857
2-[2-(2-propoxyethoxy)ethoxy]ethyl propanoate
CID 87832523
2-(diethylamino)ethyl pentanoate
CID 14795466
propyl 3-[butyl-(3-oxo-3-propoxypropyl)amino]propanoate
CID 58040528
butyl 3-[bis(3-butoxy-3-oxopropyl)amino]propanoate
CID 59204058
2-(2-propoxyethoxy)ethyl pent-4-ynoate
CID 134215375
2-ethoxyethyl 3-[bis(2-acetyloxyethyl)amino]propanoate
CID 23544927
3-(diethylamino)propyl octadecanoate
CID 139896219
2-methoxyethyl 3-[3-(dimethylamino)propyl-[3-[2-[2-[2-[2-[3-[3-(dimethylamino)propyl-[3-[2-(2-methoxyethoxy)ethoxy]-3-oxopropyl]amino]propanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxopropyl]amino]propanoate
CID 176880518
bis(3-propoxypropyl) hexanedioate
CID 174802487
2-(2-butoxyethoxy)ethyl pentanoate
CID 57063058
2-(2-dotriacontanoyloxyethoxy)ethyl dotriacontanoate
CID 102240305

Frequently Asked Questions

What is the IUPAC name of 2-propoxyethyl 3-(diethylamino)propanoate?
The IUPAC name of 2-propoxyethyl 3-(diethylamino)propanoate (CID 58184879) is 2-propoxyethyl 3-(diethylamino)propanoate.
What is the SMILES notation for 2-propoxyethyl 3-(diethylamino)propanoate?
The canonical SMILES for 2-propoxyethyl 3-(diethylamino)propanoate is CCCOCCOC(=O)CCN(CC)CC.
What is the InChIKey of 2-propoxyethyl 3-(diethylamino)propanoate?
The InChIKey is NFHLMIDHRKPQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-4-9-15-10-11-16-12(14)7-8-13(5-2)6-3/h4-11H2,1-3H3.
What are the key properties of 2-propoxyethyl 3-(diethylamino)propanoate?
2-propoxyethyl 3-(diethylamino)propanoate has a molecular weight of 231.34 g/mol, XLogP of 1.69, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxyethyl 3-(diethylamino)propanoate is sourced from PubChem (CID 58184879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).