propyl 2-[4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxyphenyl]acetate

C19H29NO5 — CID 10286834

IUPACpropyl 2-[4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxyphenyl]acetate
SMILESCCCOC(=O)Cc1ccc(OCC(=O)N(CC)CC)c(OCC)c1
InChIInChI=1S/C19H29NO5/c1-5-11-24-19(22)13-15-9-10-16(17(12-15)23-8-4)25-14-18(21)20(6-2)7-3/h9-10,12H,5-8,11,13-14H2,1-4H3
InChIKeyQPUVKSKJCNGSGT-UHFFFAOYSA-N
MW351.44 g/mol
LogP2.83
Rot. Bonds11

About propyl 2-[4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxyphenyl]acetate

propyl 2-[4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxyphenyl]acetate (PubChem CID 10286834) has the molecular formula C19H29NO5 and a molecular weight of 351.44 g/mol. Its IUPAC name is propyl 2-[4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxyphenyl]acetate.

Molecular Properties

Compound Namepropyl 2-[4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxyphenyl]acetate
PubChem CID10286834
Molecular FormulaC19H29NO5
Molecular Weight351.44 g/mol
Exact Mass351.20
IUPAC Namepropyl 2-[4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxyphenyl]acetate
SMILESCCCOC(=O)Cc1ccc(OCC(=O)N(CC)CC)c(OCC)c1
InChIInChI=1S/C19H29NO5/c1-5-11-24-19(22)13-15-9-10-16(17(12-15)23-8-4)25-14-18(21)20(6-2)7-3/h9-10,12H,5-8,11,13-14H2,1-4H3
InChIKeyQPUVKSKJCNGSGT-UHFFFAOYSA-N
XLogP2.83
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Propanidid
CID 15004
N,N-Diethyl-2-(2-methoxy-4-(2-propen-1-yl)phenoxy)acetamide
CID 67538
3-Methoxy-4-(2-(morpholin-4-yl)-2-oxoethoxy)benzaldehyde
CID 689833
3-Methoxy-4-[2-oxo-2-(pyrrolidin-1-yl)ethoxy]benzaldehyde
CID 2517806
N,N-diethyl-2-(4-formyl-2-methoxyphenoxy)acetamide
CID 673707
[2-(Cyclopentylamino)-2-oxoethyl] 3,4-dimethoxybenzoate
CID 2337903
[2-(Cyclopropylamino)-2-oxoethyl] 3,4-dimethoxybenzoate
CID 2592182
Methyl 4-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethoxy]-3-methoxybenzoate
CID 3646368
(2-Oxo-2-pyrrolidin-1-ylethyl) 3,4-diethoxybenzoate
CID 4033365
[2-(Cycloheptylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 4790423
[2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 4984708
[2-Oxo-2-(3-phenylpropylamino)ethyl] 3-methoxy-4-(2-methylpropoxy)benzoate
CID 24685868

Frequently Asked Questions

What is the IUPAC name of propyl 2-[4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxyphenyl]acetate?
The IUPAC name of propyl 2-[4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxyphenyl]acetate (CID 10286834) is propyl 2-[4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxyphenyl]acetate.
What is the SMILES notation for propyl 2-[4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxyphenyl]acetate?
The canonical SMILES for propyl 2-[4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxyphenyl]acetate is CCCOC(=O)Cc1ccc(OCC(=O)N(CC)CC)c(OCC)c1.
What is the InChIKey of propyl 2-[4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxyphenyl]acetate?
The InChIKey is QPUVKSKJCNGSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO5/c1-5-11-24-19(22)13-15-9-10-16(17(12-15)23-8-4)25-14-18(21)20(6-2)7-3/h9-10,12H,5-8,11,13-14H2,1-4H3.
What are the key properties of propyl 2-[4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxyphenyl]acetate?
propyl 2-[4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxyphenyl]acetate has a molecular weight of 351.44 g/mol, XLogP of 2.83, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxyphenyl]acetate is sourced from PubChem (CID 10286834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).