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

C18H27NO5 — CID 15004

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IUPACpropyl 2-[4-[2-(diethylamino)-2-oxoethoxy]-3-methoxyphenyl]acetate
SMILESCCCOC(=O)Cc1ccc(OCC(=O)N(CC)CC)c(OC)c1
InChIInChI=1S/C18H27NO5/c1-5-10-23-18(21)12-14-8-9-15(16(11-14)22-4)24-13-17(20)19(6-2)7-3/h8-9,11H,5-7,10,12-13H2,1-4H3
InChIKeyKEJXLQUPYHWCNM-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.44
Rot. Bonds10

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

propyl 2-[4-[2-(diethylamino)-2-oxoethoxy]-3-methoxyphenyl]acetate (PubChem CID 15004) has the molecular formula C18H27NO5 and a molecular weight of 337.42 g/mol. Its IUPAC name is propyl 2-[4-[2-(diethylamino)-2-oxoethoxy]-3-methoxyphenyl]acetate.

Molecular Properties

Compound Namepropyl 2-[4-[2-(diethylamino)-2-oxoethoxy]-3-methoxyphenyl]acetate
PubChem CID15004
Molecular FormulaC18H27NO5
Molecular Weight337.42 g/mol
Exact Mass337.19
IUPAC Namepropyl 2-[4-[2-(diethylamino)-2-oxoethoxy]-3-methoxyphenyl]acetate
SMILESCCCOC(=O)Cc1ccc(OCC(=O)N(CC)CC)c(OC)c1
InChIInChI=1S/C18H27NO5/c1-5-10-23-18(21)12-14-8-9-15(16(11-14)22-4)24-13-17(20)19(6-2)7-3/h8-9,11H,5-7,10,12-13H2,1-4H3
InChIKeyKEJXLQUPYHWCNM-UHFFFAOYSA-N
XLogP2.44
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Azd-3043
CID 10286834
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-methoxyphenyl]acetate?
The IUPAC name of propyl 2-[4-[2-(diethylamino)-2-oxoethoxy]-3-methoxyphenyl]acetate (CID 15004) is propyl 2-[4-[2-(diethylamino)-2-oxoethoxy]-3-methoxyphenyl]acetate.
What is the SMILES notation for propyl 2-[4-[2-(diethylamino)-2-oxoethoxy]-3-methoxyphenyl]acetate?
The canonical SMILES for propyl 2-[4-[2-(diethylamino)-2-oxoethoxy]-3-methoxyphenyl]acetate is CCCOC(=O)Cc1ccc(OCC(=O)N(CC)CC)c(OC)c1.
What is the InChIKey of propyl 2-[4-[2-(diethylamino)-2-oxoethoxy]-3-methoxyphenyl]acetate?
The InChIKey is KEJXLQUPYHWCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO5/c1-5-10-23-18(21)12-14-8-9-15(16(11-14)22-4)24-13-17(20)19(6-2)7-3/h8-9,11H,5-7,10,12-13H2,1-4H3.
What are the key properties of propyl 2-[4-[2-(diethylamino)-2-oxoethoxy]-3-methoxyphenyl]acetate?
propyl 2-[4-[2-(diethylamino)-2-oxoethoxy]-3-methoxyphenyl]acetate has a molecular weight of 337.42 g/mol, XLogP of 2.44, 10 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-methoxyphenyl]acetate is sourced from PubChem (CID 15004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).