propyl 2-[4-[2-(dipropylamino)-2-oxoethoxy]-3-propoxyphenyl]acetate

C22H35NO5 — CID 11574730

IUPACpropyl 2-[4-[2-(dipropylamino)-2-oxoethoxy]-3-propoxyphenyl]acetate
SMILESCCCOC(=O)Cc1ccc(OCC(=O)N(CCC)CCC)c(OCCC)c1
InChIInChI=1S/C22H35NO5/c1-5-11-23(12-6-2)21(24)17-28-19-10-9-18(15-20(19)26-13-7-3)16-22(25)27-14-8-4/h9-10,15H,5-8,11-14,16-17H2,1-4H3
InChIKeyBBZKIWNIBAJUKW-UHFFFAOYSA-N
MW393.52 g/mol
LogP4.00
Rot. Bonds14

About propyl 2-[4-[2-(dipropylamino)-2-oxoethoxy]-3-propoxyphenyl]acetate

propyl 2-[4-[2-(dipropylamino)-2-oxoethoxy]-3-propoxyphenyl]acetate (PubChem CID 11574730) has the molecular formula C22H35NO5 and a molecular weight of 393.52 g/mol. Its IUPAC name is propyl 2-[4-[2-(dipropylamino)-2-oxoethoxy]-3-propoxyphenyl]acetate.

Molecular Properties

Compound Namepropyl 2-[4-[2-(dipropylamino)-2-oxoethoxy]-3-propoxyphenyl]acetate
PubChem CID11574730
Molecular FormulaC22H35NO5
Molecular Weight393.52 g/mol
Exact Mass393.25
IUPAC Namepropyl 2-[4-[2-(dipropylamino)-2-oxoethoxy]-3-propoxyphenyl]acetate
SMILESCCCOC(=O)Cc1ccc(OCC(=O)N(CCC)CCC)c(OCCC)c1
InChIInChI=1S/C22H35NO5/c1-5-11-23(12-6-2)21(24)17-28-19-10-9-18(15-20(19)26-13-7-3)16-22(25)27-14-8-4/h9-10,15H,5-8,11-14,16-17H2,1-4H3
InChIKeyBBZKIWNIBAJUKW-UHFFFAOYSA-N
XLogP4.00
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.52
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

propyl 2-[4-[2-[ethyl(propyl)amino]-2-oxoethoxy]-3-propoxyphenyl]-2-hydroxyacetate
CID 67199986
2-(2-ethoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55332541
2-(4-acetyl-2-methoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55332598
N,N-diethyl-2-(4-prop-2-enyl-2-propoxyphenoxy)acetamide
CID 3026092
2-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55332838
2-(3-ethoxy-4-propoxyphenyl)acetate
CID 7139426
2-(3-methoxy-4-methylphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55455967
3-(3-amino-4-propoxyphenyl)-N,N-dipropylpropanamide
CID 94759946
2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide;hydrochloride
CID 119268681
ethyl 2-(4-butoxy-3-methylphenyl)acetate
CID 154174708
2-(4-aminophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide;hydrochloride
CID 119684727
[2-(4-butylanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 71823001

Frequently Asked Questions

What is the IUPAC name of propyl 2-[4-[2-(dipropylamino)-2-oxoethoxy]-3-propoxyphenyl]acetate?
The IUPAC name of propyl 2-[4-[2-(dipropylamino)-2-oxoethoxy]-3-propoxyphenyl]acetate (CID 11574730) is propyl 2-[4-[2-(dipropylamino)-2-oxoethoxy]-3-propoxyphenyl]acetate.
What is the SMILES notation for propyl 2-[4-[2-(dipropylamino)-2-oxoethoxy]-3-propoxyphenyl]acetate?
The canonical SMILES for propyl 2-[4-[2-(dipropylamino)-2-oxoethoxy]-3-propoxyphenyl]acetate is CCCOC(=O)Cc1ccc(OCC(=O)N(CCC)CCC)c(OCCC)c1.
What is the InChIKey of propyl 2-[4-[2-(dipropylamino)-2-oxoethoxy]-3-propoxyphenyl]acetate?
The InChIKey is BBZKIWNIBAJUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35NO5/c1-5-11-23(12-6-2)21(24)17-28-19-10-9-18(15-20(19)26-13-7-3)16-22(25)27-14-8-4/h9-10,15H,5-8,11-14,16-17H2,1-4H3.
What are the key properties of propyl 2-[4-[2-(dipropylamino)-2-oxoethoxy]-3-propoxyphenyl]acetate?
propyl 2-[4-[2-(dipropylamino)-2-oxoethoxy]-3-propoxyphenyl]acetate has a molecular weight of 393.52 g/mol, XLogP of 4.00, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[4-[2-(dipropylamino)-2-oxoethoxy]-3-propoxyphenyl]acetate is sourced from PubChem (CID 11574730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).