propyl 2-[4-[2-[ethyl(propyl)amino]-2-oxoethoxy]-3-propoxyphenyl]-2-hydroxyacetate

C21H33NO6 — CID 67199986

IUPACpropyl 2-[4-[2-[ethyl(propyl)amino]-2-oxoethoxy]-3-propoxyphenyl]-2-hydroxyacetate
SMILESCCCOC(=O)C(O)c1ccc(OCC(=O)N(CC)CCC)c(OCCC)c1
InChIInChI=1S/C21H33NO6/c1-5-11-22(8-4)19(23)15-28-17-10-9-16(14-18(17)26-12-6-2)20(24)21(25)27-13-7-3/h9-10,14,20,24H,5-8,11-13,15H2,1-4H3
InChIKeyTVSVZXBXOVEEMF-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.10
Rot. Bonds13

About propyl 2-[4-[2-[ethyl(propyl)amino]-2-oxoethoxy]-3-propoxyphenyl]-2-hydroxyacetate

propyl 2-[4-[2-[ethyl(propyl)amino]-2-oxoethoxy]-3-propoxyphenyl]-2-hydroxyacetate (PubChem CID 67199986) has the molecular formula C21H33NO6 and a molecular weight of 395.50 g/mol. Its IUPAC name is propyl 2-[4-[2-[ethyl(propyl)amino]-2-oxoethoxy]-3-propoxyphenyl]-2-hydroxyacetate.

Molecular Properties

Compound Namepropyl 2-[4-[2-[ethyl(propyl)amino]-2-oxoethoxy]-3-propoxyphenyl]-2-hydroxyacetate
PubChem CID67199986
Molecular FormulaC21H33NO6
Molecular Weight395.50 g/mol
Exact Mass395.23
IUPAC Namepropyl 2-[4-[2-[ethyl(propyl)amino]-2-oxoethoxy]-3-propoxyphenyl]-2-hydroxyacetate
SMILESCCCOC(=O)C(O)c1ccc(OCC(=O)N(CC)CCC)c(OCCC)c1
InChIInChI=1S/C21H33NO6/c1-5-11-22(8-4)19(23)15-28-17-10-9-16(14-18(17)26-12-6-2)20(24)21(25)27-13-7-3/h9-10,14,20,24H,5-8,11-13,15H2,1-4H3
InChIKeyTVSVZXBXOVEEMF-UHFFFAOYSA-N
XLogP3.10
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

propyl 2-[4-[2-(dipropylamino)-2-oxoethoxy]-3-propoxyphenyl]acetate
CID 11574730
N,N-diethyl-2-(4-prop-2-enyl-2-propoxyphenoxy)acetamide
CID 3026092
propyl 2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetate
CID 54017082
2-(2-ethoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55332541
2-(3,4-dipropoxyphenyl)-4-methylpentan-3-one
CID 79304001
2-(4-acetyl-2-methoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55332598
propyl 2-hydroxy-2-(3-hydroxy-4-methylphenyl)acetate
CID 22283713
2-(4-aminophenoxy)-N-ethyl-N-propylacetamide
CID 61094181
(2S)-2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylbutanamide
CID 119268690
2-(3,4-dipropoxyphenyl)pentan-3-ol
CID 79298154
N-butyl-N-ethyl-2-(2-methoxy-4-methylphenoxy)acetamide
CID 78785126
[2-[benzyl(ethyl)amino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 55326340

Frequently Asked Questions

What is the IUPAC name of propyl 2-[4-[2-[ethyl(propyl)amino]-2-oxoethoxy]-3-propoxyphenyl]-2-hydroxyacetate?
The IUPAC name of propyl 2-[4-[2-[ethyl(propyl)amino]-2-oxoethoxy]-3-propoxyphenyl]-2-hydroxyacetate (CID 67199986) is propyl 2-[4-[2-[ethyl(propyl)amino]-2-oxoethoxy]-3-propoxyphenyl]-2-hydroxyacetate.
What is the SMILES notation for propyl 2-[4-[2-[ethyl(propyl)amino]-2-oxoethoxy]-3-propoxyphenyl]-2-hydroxyacetate?
The canonical SMILES for propyl 2-[4-[2-[ethyl(propyl)amino]-2-oxoethoxy]-3-propoxyphenyl]-2-hydroxyacetate is CCCOC(=O)C(O)c1ccc(OCC(=O)N(CC)CCC)c(OCCC)c1.
What is the InChIKey of propyl 2-[4-[2-[ethyl(propyl)amino]-2-oxoethoxy]-3-propoxyphenyl]-2-hydroxyacetate?
The InChIKey is TVSVZXBXOVEEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO6/c1-5-11-22(8-4)19(23)15-28-17-10-9-16(14-18(17)26-12-6-2)20(24)21(25)27-13-7-3/h9-10,14,20,24H,5-8,11-13,15H2,1-4H3.
What are the key properties of propyl 2-[4-[2-[ethyl(propyl)amino]-2-oxoethoxy]-3-propoxyphenyl]-2-hydroxyacetate?
propyl 2-[4-[2-[ethyl(propyl)amino]-2-oxoethoxy]-3-propoxyphenyl]-2-hydroxyacetate has a molecular weight of 395.50 g/mol, XLogP of 3.10, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[4-[2-[ethyl(propyl)amino]-2-oxoethoxy]-3-propoxyphenyl]-2-hydroxyacetate is sourced from PubChem (CID 67199986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).