2-[2-(diethylamino)ethoxy]ethyl 2-phenylbutanoate

C18H29NO3 — CID 28892

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IUPAC2-[2-(diethylamino)ethoxy]ethyl 2-phenylbutanoate
SMILESCCC(C(=O)OCCOCCN(CC)CC)c1ccccc1
InChIInChI=1S/C18H29NO3/c1-4-17(16-10-8-7-9-11-16)18(20)22-15-14-21-13-12-19(5-2)6-3/h7-11,17H,4-6,12-15H2,1-3H3
InChIKeyDDVUMDPCZWBYRA-UHFFFAOYSA-N
MW307.43 g/mol
LogP3.08
Rot. Bonds11

About 2-[2-(diethylamino)ethoxy]ethyl 2-phenylbutanoate

2-[2-(diethylamino)ethoxy]ethyl 2-phenylbutanoate (PubChem CID 28892) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethoxy]ethyl 2-phenylbutanoate.

Molecular Properties

Compound Name2-[2-(diethylamino)ethoxy]ethyl 2-phenylbutanoate
PubChem CID28892
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name2-[2-(diethylamino)ethoxy]ethyl 2-phenylbutanoate
SMILESCCC(C(=O)OCCOCCN(CC)CC)c1ccccc1
InChIInChI=1S/C18H29NO3/c1-4-17(16-10-8-7-9-11-16)18(20)22-15-14-21-13-12-19(5-2)6-3/h7-11,17H,4-6,12-15H2,1-3H3
InChIKeyDDVUMDPCZWBYRA-UHFFFAOYSA-N
XLogP3.08
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 53.08
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

Carbetapentane
CID 2562
Benactyzine
CID 9330
Adiphenine
CID 2031
Cyclopentolate
CID 2905
Oxyphenonium
CID 5749
Oxyphenonium Bromide
CID 5748
Oxeladin
CID 4619
Proadifen Hydrochloride
CID 65341
Piperidolate
CID 4839
Aprofene
CID 71128
Cyclopentolate Hydrochloride
CID 22162
Piperidolate Hydrochloride
CID 8520

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethoxy]ethyl 2-phenylbutanoate?
The IUPAC name of 2-[2-(diethylamino)ethoxy]ethyl 2-phenylbutanoate (CID 28892) is 2-[2-(diethylamino)ethoxy]ethyl 2-phenylbutanoate.
What is the SMILES notation for 2-[2-(diethylamino)ethoxy]ethyl 2-phenylbutanoate?
The canonical SMILES for 2-[2-(diethylamino)ethoxy]ethyl 2-phenylbutanoate is CCC(C(=O)OCCOCCN(CC)CC)c1ccccc1.
What is the InChIKey of 2-[2-(diethylamino)ethoxy]ethyl 2-phenylbutanoate?
The InChIKey is DDVUMDPCZWBYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3/c1-4-17(16-10-8-7-9-11-16)18(20)22-15-14-21-13-12-19(5-2)6-3/h7-11,17H,4-6,12-15H2,1-3H3.
What are the key properties of 2-[2-(diethylamino)ethoxy]ethyl 2-phenylbutanoate?
2-[2-(diethylamino)ethoxy]ethyl 2-phenylbutanoate has a molecular weight of 307.43 g/mol, XLogP of 3.08, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethoxy]ethyl 2-phenylbutanoate is sourced from PubChem (CID 28892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).