2-[4-[2-(diethylamino)ethoxy]-3,5-dimethylphenyl]-1-(4-methoxyphenyl)ethanone

C23H31NO3 — CID 19895394

IUPAC2-[4-[2-(diethylamino)ethoxy]-3,5-dimethylphenyl]-1-(4-methoxyphenyl)ethanone
SMILESCCN(CC)CCOc1c(C)cc(CC(=O)c2ccc(OC)cc2)cc1C
InChIInChI=1S/C23H31NO3/c1-6-24(7-2)12-13-27-23-17(3)14-19(15-18(23)4)16-22(25)20-8-10-21(26-5)11-9-20/h8-11,14-15H,6-7,12-13,16H2,1-5H3
InChIKeyVFBJUSLGRGEMBG-UHFFFAOYSA-N
MW369.51 g/mol
LogP4.46
Rot. Bonds10

About 2-[4-[2-(diethylamino)ethoxy]-3,5-dimethylphenyl]-1-(4-methoxyphenyl)ethanone

2-[4-[2-(diethylamino)ethoxy]-3,5-dimethylphenyl]-1-(4-methoxyphenyl)ethanone (PubChem CID 19895394) has the molecular formula C23H31NO3 and a molecular weight of 369.51 g/mol. Its IUPAC name is 2-[4-[2-(diethylamino)ethoxy]-3,5-dimethylphenyl]-1-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[4-[2-(diethylamino)ethoxy]-3,5-dimethylphenyl]-1-(4-methoxyphenyl)ethanone
PubChem CID19895394
Molecular FormulaC23H31NO3
Molecular Weight369.51 g/mol
Exact Mass369.23
IUPAC Name2-[4-[2-(diethylamino)ethoxy]-3,5-dimethylphenyl]-1-(4-methoxyphenyl)ethanone
SMILESCCN(CC)CCOc1c(C)cc(CC(=O)c2ccc(OC)cc2)cc1C
InChIInChI=1S/C23H31NO3/c1-6-24(7-2)12-13-27-23-17(3)14-19(15-18(23)4)16-22(25)20-8-10-21(26-5)11-9-20/h8-11,14-15H,6-7,12-13,16H2,1-5H3
InChIKeyVFBJUSLGRGEMBG-UHFFFAOYSA-N
XLogP4.46
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)butan-1-one;hydrochloride
CID 162084347
N,N-diethyl-2-(2,4,6-trimethylphenoxy)ethanamine
CID 2848079
N-[4-[2-(diethylamino)ethoxy]phenyl]-4-methoxy-N-methylbenzamide
CID 70967812
1-[4-[3-(diethylamino)propoxy]-3,5-dimethylphenyl]-3,3-diphenylpropan-1-one
CID 21331744
3-(diethylamino)-1-(4-propoxyphenyl)propan-1-one
CID 3056738
1-[4-[(4-methoxyphenyl)methoxy]phenyl]butan-1-one
CID 134129695
1-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone
CID 641829
1-[2-[2-(diethylamino)ethoxy]-4-methoxyphenyl]ethanone
CID 82002145
2-(3,4-dimethylphenyl)-1-(4-propoxyphenyl)ethanone
CID 63410446
1-(4-methoxyphenyl)-2-(4-propylphenyl)ethanone
CID 71380079
[4-[2-(diethylamino)ethoxy]phenyl]-[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]methanone
CID 15411886
1-(3-methoxy-5-methylphenyl)-2-(4-methoxyphenyl)ethanone
CID 58027389

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(diethylamino)ethoxy]-3,5-dimethylphenyl]-1-(4-methoxyphenyl)ethanone?
The IUPAC name of 2-[4-[2-(diethylamino)ethoxy]-3,5-dimethylphenyl]-1-(4-methoxyphenyl)ethanone (CID 19895394) is 2-[4-[2-(diethylamino)ethoxy]-3,5-dimethylphenyl]-1-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-[4-[2-(diethylamino)ethoxy]-3,5-dimethylphenyl]-1-(4-methoxyphenyl)ethanone?
The canonical SMILES for 2-[4-[2-(diethylamino)ethoxy]-3,5-dimethylphenyl]-1-(4-methoxyphenyl)ethanone is CCN(CC)CCOc1c(C)cc(CC(=O)c2ccc(OC)cc2)cc1C.
What is the InChIKey of 2-[4-[2-(diethylamino)ethoxy]-3,5-dimethylphenyl]-1-(4-methoxyphenyl)ethanone?
The InChIKey is VFBJUSLGRGEMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO3/c1-6-24(7-2)12-13-27-23-17(3)14-19(15-18(23)4)16-22(25)20-8-10-21(26-5)11-9-20/h8-11,14-15H,6-7,12-13,16H2,1-5H3.
What are the key properties of 2-[4-[2-(diethylamino)ethoxy]-3,5-dimethylphenyl]-1-(4-methoxyphenyl)ethanone?
2-[4-[2-(diethylamino)ethoxy]-3,5-dimethylphenyl]-1-(4-methoxyphenyl)ethanone has a molecular weight of 369.51 g/mol, XLogP of 4.46, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(diethylamino)ethoxy]-3,5-dimethylphenyl]-1-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 19895394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).