2-(diethylamino)ethyl 3-propoxybenzoate

C16H25NO3 — CID 175666282

IUPAC2-(diethylamino)ethyl 3-propoxybenzoate
SMILESCCCOc1cccc(C(=O)OCCN(CC)CC)c1
InChIInChI=1S/C16H25NO3/c1-4-11-19-15-9-7-8-14(13-15)16(18)20-12-10-17(5-2)6-3/h7-9,13H,4-6,10-12H2,1-3H3
InChIKeyJHKLKKCRZOZNON-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.97
Rot. Bonds9

About 2-(diethylamino)ethyl 3-propoxybenzoate

2-(diethylamino)ethyl 3-propoxybenzoate (PubChem CID 175666282) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 3-propoxybenzoate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 3-propoxybenzoate
PubChem CID175666282
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-(diethylamino)ethyl 3-propoxybenzoate
SMILESCCCOc1cccc(C(=O)OCCN(CC)CC)c1
InChIInChI=1S/C16H25NO3/c1-4-11-19-15-9-7-8-14(13-15)16(18)20-12-10-17(5-2)6-3/h7-9,13H,4-6,10-12H2,1-3H3
InChIKeyJHKLKKCRZOZNON-UHFFFAOYSA-N
XLogP2.97
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-phenoxyethoxycarbonyl)phenyl] 3-propoxybenzoate
CID 17161878
acetyl 3-propoxybenzoate
CID 54339605
3-propoxybenzamide
CID 22311435
2-(diethylamino)ethyl 3-amino-4-propoxybenzoate;trihydrochloride
CID 67947052
(3-propoxycarbonylphenyl) 3-ethoxybenzoate
CID 17169687
propan-2-yl 3-propoxybenzoate
CID 60979538
N,N-dimethyl-3-propoxybenzamide
CID 28639811
2-(diethylamino)ethyl 3,4-diethoxybenzoate
CID 23423700
propyl 3-(4-butoxybenzoyl)oxybenzoate
CID 17169670
2-(diethylamino)ethyl 3-decoxy-5-[6-(2,3-dihydroxyphenyl)hexoxy]benzoate
CID 54519256
2-(diethylamino)ethyl 4-butoxy-3-ethoxybenzoate
CID 23423702
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-propoxybenzamide
CID 62921386

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 3-propoxybenzoate?
The IUPAC name of 2-(diethylamino)ethyl 3-propoxybenzoate (CID 175666282) is 2-(diethylamino)ethyl 3-propoxybenzoate.
What is the SMILES notation for 2-(diethylamino)ethyl 3-propoxybenzoate?
The canonical SMILES for 2-(diethylamino)ethyl 3-propoxybenzoate is CCCOc1cccc(C(=O)OCCN(CC)CC)c1.
What is the InChIKey of 2-(diethylamino)ethyl 3-propoxybenzoate?
The InChIKey is JHKLKKCRZOZNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-4-11-19-15-9-7-8-14(13-15)16(18)20-12-10-17(5-2)6-3/h7-9,13H,4-6,10-12H2,1-3H3.
What are the key properties of 2-(diethylamino)ethyl 3-propoxybenzoate?
2-(diethylamino)ethyl 3-propoxybenzoate has a molecular weight of 279.38 g/mol, XLogP of 2.97, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 3-propoxybenzoate is sourced from PubChem (CID 175666282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).