2-[3-[2-(dipropylamino)-2-oxoethoxy]phenoxy]-N,N-dipropylacetamide

C22H36N2O4 — CID 71326234

IUPAC2-[3-[2-(dipropylamino)-2-oxoethoxy]phenoxy]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)COc1cccc(OCC(=O)N(CCC)CCC)c1
InChIInChI=1S/C22H36N2O4/c1-5-12-23(13-6-2)21(25)17-27-19-10-9-11-20(16-19)28-18-22(26)24(14-7-3)15-8-4/h9-11,16H,5-8,12-15,17-18H2,1-4H3
InChIKeyQJRXSAJGKXQITK-UHFFFAOYSA-N
MW392.54 g/mol
LogP3.74
Rot. Bonds14

About 2-[3-[2-(dipropylamino)-2-oxoethoxy]phenoxy]-N,N-dipropylacetamide

2-[3-[2-(dipropylamino)-2-oxoethoxy]phenoxy]-N,N-dipropylacetamide (PubChem CID 71326234) has the molecular formula C22H36N2O4 and a molecular weight of 392.54 g/mol. Its IUPAC name is 2-[3-[2-(dipropylamino)-2-oxoethoxy]phenoxy]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[3-[2-(dipropylamino)-2-oxoethoxy]phenoxy]-N,N-dipropylacetamide
PubChem CID71326234
Molecular FormulaC22H36N2O4
Molecular Weight392.54 g/mol
Exact Mass392.27
IUPAC Name2-[3-[2-(dipropylamino)-2-oxoethoxy]phenoxy]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)COc1cccc(OCC(=O)N(CCC)CCC)c1
InChIInChI=1S/C22H36N2O4/c1-5-12-23(13-6-2)21(25)17-27-19-10-9-11-20(16-19)28-18-22(26)24(14-7-3)15-8-4/h9-11,16H,5-8,12-15,17-18H2,1-4H3
InChIKeyQJRXSAJGKXQITK-UHFFFAOYSA-N
XLogP3.74
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromophenoxy)-N,N-dipropylacetamide
CID 112977337
N,N-dibutyl-2-phenoxyacetamide
CID 4074500
N-(2-aminoethyl)-N-ethyl-2-(3-methoxyphenoxy)acetamide
CID 82354386
2-(3-bromophenoxy)-N,N-diethylacetamide
CID 24689388
4-[2-(dipropylamino)-2-oxoethoxy]benzamide
CID 8566203
N,N-bis(2-methoxyethyl)-2-(3-methylphenoxy)acetamide
CID 78762157
2-(3-ethoxyphenoxy)-N-methylacetohydrazide
CID 116820503
2-(3-acetylphenoxy)-N-butyl-N-ethylacetamide
CID 78785120
N-benzyl-2-(3-ethoxyphenoxy)-N-ethylacetamide
CID 112977716
2-[3-(2-methylpropoxy)anilino]-N,N-dipropylacetamide
CID 54823859
N-ethyl-2-(3-ethylphenoxy)-N-(2-hydroxyethyl)acetamide
CID 60653414
2-(4-aminophenoxy)-N-ethyl-N-propylacetamide
CID 61094181

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(dipropylamino)-2-oxoethoxy]phenoxy]-N,N-dipropylacetamide?
The IUPAC name of 2-[3-[2-(dipropylamino)-2-oxoethoxy]phenoxy]-N,N-dipropylacetamide (CID 71326234) is 2-[3-[2-(dipropylamino)-2-oxoethoxy]phenoxy]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[3-[2-(dipropylamino)-2-oxoethoxy]phenoxy]-N,N-dipropylacetamide?
The canonical SMILES for 2-[3-[2-(dipropylamino)-2-oxoethoxy]phenoxy]-N,N-dipropylacetamide is CCCN(CCC)C(=O)COc1cccc(OCC(=O)N(CCC)CCC)c1.
What is the InChIKey of 2-[3-[2-(dipropylamino)-2-oxoethoxy]phenoxy]-N,N-dipropylacetamide?
The InChIKey is QJRXSAJGKXQITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O4/c1-5-12-23(13-6-2)21(25)17-27-19-10-9-11-20(16-19)28-18-22(26)24(14-7-3)15-8-4/h9-11,16H,5-8,12-15,17-18H2,1-4H3.
What are the key properties of 2-[3-[2-(dipropylamino)-2-oxoethoxy]phenoxy]-N,N-dipropylacetamide?
2-[3-[2-(dipropylamino)-2-oxoethoxy]phenoxy]-N,N-dipropylacetamide has a molecular weight of 392.54 g/mol, XLogP of 3.74, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(dipropylamino)-2-oxoethoxy]phenoxy]-N,N-dipropylacetamide is sourced from PubChem (CID 71326234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).