[1-(dipropylamino)-1-oxopropan-2-yl] acetate

C11H21NO3 — CID 143294718

IUPAC[1-(dipropylamino)-1-oxopropan-2-yl] acetate
SMILESCCCN(CCC)C(=O)C(C)OC(C)=O
InChIInChI=1S/C11H21NO3/c1-5-7-12(8-6-2)11(14)9(3)15-10(4)13/h9H,5-8H2,1-4H3
InChIKeyFOSBFMLYPYHROW-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.59
Rot. Bonds6

About [1-(dipropylamino)-1-oxopropan-2-yl] acetate

[1-(dipropylamino)-1-oxopropan-2-yl] acetate (PubChem CID 143294718) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is [1-(dipropylamino)-1-oxopropan-2-yl] acetate.

Molecular Properties

Compound Name[1-(dipropylamino)-1-oxopropan-2-yl] acetate
PubChem CID143294718
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name[1-(dipropylamino)-1-oxopropan-2-yl] acetate
SMILESCCCN(CCC)C(=O)C(C)OC(C)=O
InChIInChI=1S/C11H21NO3/c1-5-7-12(8-6-2)11(14)9(3)15-10(4)13/h9H,5-8H2,1-4H3
InChIKeyFOSBFMLYPYHROW-UHFFFAOYSA-N
XLogP1.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-(dimethylamino)-1-oxopropan-2-yl] acetate
CID 14241776
(2S,3S)-2-amino-3-methyl-N,N-dipropylpentanamide
CID 42314652
(2S)-2-amino-3-methyl-N,N-dipropylbutanamide
CID 22690786
N-(2-bromoethyl)-2-methyl-N-propylpropanamide
CID 80660221
(E)-4-[(2S)-1-(diethylamino)-1-oxopropan-2-yl]oxy-3-methyl-4-oxobut-2-enoic acid
CID 87337299
2-chloro-N,N-dipropylbutanamide
CID 121204586
(2S)-2-acetyloxypropanoic acid
CID 6326324
propane;propan-2-yl acetate
CID 23325886
N-(2-chloroethyl)-2-methyl-N-propylbutanamide
CID 63393003
N-(3-aminopropyl)-2-methyl-N-propylpropanamide
CID 43136612
[(2S)-3-oxopentadecan-2-yl] acetate
CID 101242684
2-(4-fluorophenoxy)-N-(2-hydroxyethyl)-N-propylpropanamide
CID 60656705

Frequently Asked Questions

What is the IUPAC name of [1-(dipropylamino)-1-oxopropan-2-yl] acetate?
The IUPAC name of [1-(dipropylamino)-1-oxopropan-2-yl] acetate (CID 143294718) is [1-(dipropylamino)-1-oxopropan-2-yl] acetate.
What is the SMILES notation for [1-(dipropylamino)-1-oxopropan-2-yl] acetate?
The canonical SMILES for [1-(dipropylamino)-1-oxopropan-2-yl] acetate is CCCN(CCC)C(=O)C(C)OC(C)=O.
What is the InChIKey of [1-(dipropylamino)-1-oxopropan-2-yl] acetate?
The InChIKey is FOSBFMLYPYHROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-5-7-12(8-6-2)11(14)9(3)15-10(4)13/h9H,5-8H2,1-4H3.
What are the key properties of [1-(dipropylamino)-1-oxopropan-2-yl] acetate?
[1-(dipropylamino)-1-oxopropan-2-yl] acetate has a molecular weight of 215.29 g/mol, XLogP of 1.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dipropylamino)-1-oxopropan-2-yl] acetate is sourced from PubChem (CID 143294718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).