3-(dimethylamino)-4-[4-(2-ethyl-4-methoxyphenyl)phenyl]butan-2-one;ethane

C25H39NO2 — CID 143874783

IUPAC3-(dimethylamino)-4-[4-(2-ethyl-4-methoxyphenyl)phenyl]butan-2-one;ethane
SMILESCC.CC.CCc1cc(OC)ccc1-c1ccc(CC(C(C)=O)N(C)C)cc1
InChIInChI=1S/C21H27NO2.2C2H6/c1-6-17-14-19(24-5)11-12-20(17)18-9-7-16(8-10-18)13-21(15(2)23)22(3)4;2*1-2/h7-12,14,21H,6,13H2,1-5H3;2*1-2H3
InChIKeyFDQGAHIDHKKMEG-UHFFFAOYSA-N
MW385.59 g/mol
LogP6.04
Rot. Bonds7

About 3-(dimethylamino)-4-[4-(2-ethyl-4-methoxyphenyl)phenyl]butan-2-one;ethane

3-(dimethylamino)-4-[4-(2-ethyl-4-methoxyphenyl)phenyl]butan-2-one;ethane (PubChem CID 143874783) has the molecular formula C25H39NO2 and a molecular weight of 385.59 g/mol. Its IUPAC name is 3-(dimethylamino)-4-[4-(2-ethyl-4-methoxyphenyl)phenyl]butan-2-one;ethane.

Molecular Properties

Compound Name3-(dimethylamino)-4-[4-(2-ethyl-4-methoxyphenyl)phenyl]butan-2-one;ethane
PubChem CID143874783
Molecular FormulaC25H39NO2
Molecular Weight385.59 g/mol
Exact Mass385.30
IUPAC Name3-(dimethylamino)-4-[4-(2-ethyl-4-methoxyphenyl)phenyl]butan-2-one;ethane
SMILESCC.CC.CCc1cc(OC)ccc1-c1ccc(CC(C(C)=O)N(C)C)cc1
InChIInChI=1S/C21H27NO2.2C2H6/c1-6-17-14-19(24-5)11-12-20(17)18-9-7-16(8-10-18)13-21(15(2)23)22(3)4;2*1-2/h7-12,14,21H,6,13H2,1-5H3;2*1-2H3
InChIKeyFDQGAHIDHKKMEG-UHFFFAOYSA-N
XLogP6.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.59
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-[4-(4-methoxy-2-methylphenyl)phenyl]propanoic acid
CID 67243066
5-methoxy-2-[4-(2-methylpropyl)phenyl]benzoic acid
CID 63423926
1-[4-(2-fluoro-4-methoxyphenyl)phenyl]propan-2-one
CID 82541027
ethane;2-ethyl-2-[[4-(2-ethyl-4-methoxyphenyl)phenyl]methyl]cyclobutan-1-one
CID 143874775
2-(5-methoxy-2-pyridin-4-ylphenyl)acetic acid
CID 11528862
(3R)-3-amino-4-(4-methoxyphenyl)butan-2-one;ethane
CID 143607280
5-[4-(4-aminobutoxy)phenyl]-2-[[(2S)-2-amino-3-[4-(2-ethyl-4-methoxyphenyl)phenyl]propanoyl]amino]pentanamide
CID 162757928
2-amino-3-[4-(4-methoxyphenyl)phenyl]propanoic acid
CID 23285642
[4-methoxy-2-[4-(2-methylpropyl)phenyl]phenyl]methanol
CID 172652180
3-[(2-bromo-5-methoxyphenyl)methyl]pentan-2-one
CID 65323268
2,4-diethyl-1-(4-ethylphenyl)benzene
CID 102240206
(2S)-2-amino-3-[4-(2-ethyl-4-pentoxyphenyl)phenyl]-N-phenylpropanamide;sulfane
CID 165055953

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-4-[4-(2-ethyl-4-methoxyphenyl)phenyl]butan-2-one;ethane?
The IUPAC name of 3-(dimethylamino)-4-[4-(2-ethyl-4-methoxyphenyl)phenyl]butan-2-one;ethane (CID 143874783) is 3-(dimethylamino)-4-[4-(2-ethyl-4-methoxyphenyl)phenyl]butan-2-one;ethane.
What is the SMILES notation for 3-(dimethylamino)-4-[4-(2-ethyl-4-methoxyphenyl)phenyl]butan-2-one;ethane?
The canonical SMILES for 3-(dimethylamino)-4-[4-(2-ethyl-4-methoxyphenyl)phenyl]butan-2-one;ethane is CC.CC.CCc1cc(OC)ccc1-c1ccc(CC(C(C)=O)N(C)C)cc1.
What is the InChIKey of 3-(dimethylamino)-4-[4-(2-ethyl-4-methoxyphenyl)phenyl]butan-2-one;ethane?
The InChIKey is FDQGAHIDHKKMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2.2C2H6/c1-6-17-14-19(24-5)11-12-20(17)18-9-7-16(8-10-18)13-21(15(2)23)22(3)4;2*1-2/h7-12,14,21H,6,13H2,1-5H3;2*1-2H3.
What are the key properties of 3-(dimethylamino)-4-[4-(2-ethyl-4-methoxyphenyl)phenyl]butan-2-one;ethane?
3-(dimethylamino)-4-[4-(2-ethyl-4-methoxyphenyl)phenyl]butan-2-one;ethane has a molecular weight of 385.59 g/mol, XLogP of 6.04, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-4-[4-(2-ethyl-4-methoxyphenyl)phenyl]butan-2-one;ethane is sourced from PubChem (CID 143874783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).