N,N-dimethyl-2-[4-(3-oxobutyl)phenoxy]propanamide

C15H21NO3 — CID 43085576

IUPACN,N-dimethyl-2-[4-(3-oxobutyl)phenoxy]propanamide
SMILESCC(=O)CCc1ccc(OC(C)C(=O)N(C)C)cc1
InChIInChI=1S/C15H21NO3/c1-11(17)5-6-13-7-9-14(10-8-13)19-12(2)15(18)16(3)4/h7-10,12H,5-6H2,1-4H3
InChIKeyPUNABFBXBOLTEI-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.06
Rot. Bonds6

About N,N-dimethyl-2-[4-(3-oxobutyl)phenoxy]propanamide

N,N-dimethyl-2-[4-(3-oxobutyl)phenoxy]propanamide (PubChem CID 43085576) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-(3-oxobutyl)phenoxy]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-(3-oxobutyl)phenoxy]propanamide
PubChem CID43085576
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN,N-dimethyl-2-[4-(3-oxobutyl)phenoxy]propanamide
SMILESCC(=O)CCc1ccc(OC(C)C(=O)N(C)C)cc1
InChIInChI=1S/C15H21NO3/c1-11(17)5-6-13-7-9-14(10-8-13)19-12(2)15(18)16(3)4/h7-10,12H,5-6H2,1-4H3
InChIKeyPUNABFBXBOLTEI-UHFFFAOYSA-N
XLogP2.06
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[4-(3-oxobutyl)phenoxy]propanamide
CID 28825316
4-(4-propan-2-yloxyphenyl)butan-2-one
CID 24710648
2-[4-[3-(ethylamino)butyl]phenoxy]-N,N-dimethylpropanamide
CID 43279779
2-[4-[(tert-butylamino)methyl]phenoxy]-N,N-dimethylpropanamide
CID 63062524
N,N-dimethyl-2-(4-propanoylphenoxy)propanamide
CID 43085562
4-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 40895940
4-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]butan-2-one
CID 78767059
N-cyclohexyl-2-[4-(3-oxobutyl)phenoxy]propanamide
CID 78767064
2-[4-(1-hydroxypropyl)phenoxy]-N,N-dimethylpropanamide
CID 43504470
4-[4-[(2R)-1-[(3R)-3-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]oxyphenyl]butan-2-one
CID 95598638
2-(4-cyanophenoxy)-N,N-dimethylpropanamide
CID 17400502
3-[4-(2-hydroxyethyl)phenoxy]butan-2-one
CID 107709225

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-(3-oxobutyl)phenoxy]propanamide?
The IUPAC name of N,N-dimethyl-2-[4-(3-oxobutyl)phenoxy]propanamide (CID 43085576) is N,N-dimethyl-2-[4-(3-oxobutyl)phenoxy]propanamide.
What is the SMILES notation for N,N-dimethyl-2-[4-(3-oxobutyl)phenoxy]propanamide?
The canonical SMILES for N,N-dimethyl-2-[4-(3-oxobutyl)phenoxy]propanamide is CC(=O)CCc1ccc(OC(C)C(=O)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-2-[4-(3-oxobutyl)phenoxy]propanamide?
The InChIKey is PUNABFBXBOLTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11(17)5-6-13-7-9-14(10-8-13)19-12(2)15(18)16(3)4/h7-10,12H,5-6H2,1-4H3.
What are the key properties of N,N-dimethyl-2-[4-(3-oxobutyl)phenoxy]propanamide?
N,N-dimethyl-2-[4-(3-oxobutyl)phenoxy]propanamide has a molecular weight of 263.34 g/mol, XLogP of 2.06, 6 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-(3-oxobutyl)phenoxy]propanamide is sourced from PubChem (CID 43085576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).