N,N-dimethyl-2-(4-propanoylphenoxy)propanamide

C14H19NO3 — CID 43085562

IUPACN,N-dimethyl-2-(4-propanoylphenoxy)propanamide
SMILESCCC(=O)c1ccc(OC(C)C(=O)N(C)C)cc1
InChIInChI=1S/C14H19NO3/c1-5-13(16)11-6-8-12(9-7-11)18-10(2)14(17)15(3)4/h6-10H,5H2,1-4H3
InChIKeyOZDDWJYZELAKTH-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.13
Rot. Bonds5

About N,N-dimethyl-2-(4-propanoylphenoxy)propanamide

N,N-dimethyl-2-(4-propanoylphenoxy)propanamide (PubChem CID 43085562) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-propanoylphenoxy)propanamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-propanoylphenoxy)propanamide
PubChem CID43085562
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN,N-dimethyl-2-(4-propanoylphenoxy)propanamide
SMILESCCC(=O)c1ccc(OC(C)C(=O)N(C)C)cc1
InChIInChI=1S/C14H19NO3/c1-5-13(16)11-6-8-12(9-7-11)18-10(2)14(17)15(3)4/h6-10H,5H2,1-4H3
InChIKeyOZDDWJYZELAKTH-UHFFFAOYSA-N
XLogP2.13
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 40895940
2-[4-(1-hydroxypropyl)phenoxy]-N,N-dimethylpropanamide
CID 43504470
2-(4-cyanophenoxy)-N,N-dimethylpropanamide
CID 17400502
N,N-dimethyl-2-[4-(3-oxobutyl)phenoxy]propanamide
CID 43085576
N,N-dimethyl-2-(4-nitrophenoxy)propanamide
CID 43887389
N-[4-[(2S)-2-(4-propanoylphenoxy)propanoyl]phenyl]acetamide
CID 7788104
2-[4-[3-(ethylamino)butyl]phenoxy]-N,N-dimethylpropanamide
CID 43279779
2-[4-[(tert-butylamino)methyl]phenoxy]-N,N-dimethylpropanamide
CID 63062524
(4-propanoylphenyl) 2-methylpropanoate
CID 19170731
N-ethyl-2-(4-hydroxyphenoxy)-N-methylpropanamide
CID 166611028
4-[6-[1-(dimethylamino)-1-oxopropan-2-yl]oxynaphthalen-2-yl]benzoic acid
CID 172666229
2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N,N-dimethylpropanamide
CID 79795923

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-propanoylphenoxy)propanamide?
The IUPAC name of N,N-dimethyl-2-(4-propanoylphenoxy)propanamide (CID 43085562) is N,N-dimethyl-2-(4-propanoylphenoxy)propanamide.
What is the SMILES notation for N,N-dimethyl-2-(4-propanoylphenoxy)propanamide?
The canonical SMILES for N,N-dimethyl-2-(4-propanoylphenoxy)propanamide is CCC(=O)c1ccc(OC(C)C(=O)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-2-(4-propanoylphenoxy)propanamide?
The InChIKey is OZDDWJYZELAKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-5-13(16)11-6-8-12(9-7-11)18-10(2)14(17)15(3)4/h6-10H,5H2,1-4H3.
What are the key properties of N,N-dimethyl-2-(4-propanoylphenoxy)propanamide?
N,N-dimethyl-2-(4-propanoylphenoxy)propanamide has a molecular weight of 249.31 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-propanoylphenoxy)propanamide is sourced from PubChem (CID 43085562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).