2-(dimethylamino)-1-[4-[2-[3-[2-(dimethylamino)acetyl]phenyl]propan-2-yl]phenyl]ethanone

C23H30N2O2 — CID 73213854

IUPAC2-(dimethylamino)-1-[4-[2-[3-[2-(dimethylamino)acetyl]phenyl]propan-2-yl]phenyl]ethanone
SMILESCN(C)CC(=O)c1ccc(C(C)(C)c2cccc(C(=O)CN(C)C)c2)cc1
InChIInChI=1S/C23H30N2O2/c1-23(2,19-12-10-17(11-13-19)21(26)15-24(3)4)20-9-7-8-18(14-20)22(27)16-25(5)6/h7-14H,15-16H2,1-6H3
InChIKeyDKWMGPGGSCRYLU-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.50
Rot. Bonds8

About 2-(dimethylamino)-1-[4-[2-[3-[2-(dimethylamino)acetyl]phenyl]propan-2-yl]phenyl]ethanone

2-(dimethylamino)-1-[4-[2-[3-[2-(dimethylamino)acetyl]phenyl]propan-2-yl]phenyl]ethanone (PubChem CID 73213854) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[4-[2-[3-[2-(dimethylamino)acetyl]phenyl]propan-2-yl]phenyl]ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-[4-[2-[3-[2-(dimethylamino)acetyl]phenyl]propan-2-yl]phenyl]ethanone
PubChem CID73213854
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name2-(dimethylamino)-1-[4-[2-[3-[2-(dimethylamino)acetyl]phenyl]propan-2-yl]phenyl]ethanone
SMILESCN(C)CC(=O)c1ccc(C(C)(C)c2cccc(C(=O)CN(C)C)c2)cc1
InChIInChI=1S/C23H30N2O2/c1-23(2,19-12-10-17(11-13-19)21(26)15-24(3)4)20-9-7-8-18(14-20)22(27)16-25(5)6/h7-14H,15-16H2,1-6H3
InChIKeyDKWMGPGGSCRYLU-UHFFFAOYSA-N
XLogP3.50
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[4-[2-[3-[2-(dimethylamino)acetyl]phenyl]propan-2-yl]phenyl]ethanone?
The IUPAC name of 2-(dimethylamino)-1-[4-[2-[3-[2-(dimethylamino)acetyl]phenyl]propan-2-yl]phenyl]ethanone (CID 73213854) is 2-(dimethylamino)-1-[4-[2-[3-[2-(dimethylamino)acetyl]phenyl]propan-2-yl]phenyl]ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-[4-[2-[3-[2-(dimethylamino)acetyl]phenyl]propan-2-yl]phenyl]ethanone?
The canonical SMILES for 2-(dimethylamino)-1-[4-[2-[3-[2-(dimethylamino)acetyl]phenyl]propan-2-yl]phenyl]ethanone is CN(C)CC(=O)c1ccc(C(C)(C)c2cccc(C(=O)CN(C)C)c2)cc1.
What is the InChIKey of 2-(dimethylamino)-1-[4-[2-[3-[2-(dimethylamino)acetyl]phenyl]propan-2-yl]phenyl]ethanone?
The InChIKey is DKWMGPGGSCRYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-23(2,19-12-10-17(11-13-19)21(26)15-24(3)4)20-9-7-8-18(14-20)22(27)16-25(5)6/h7-14H,15-16H2,1-6H3.
What are the key properties of 2-(dimethylamino)-1-[4-[2-[3-[2-(dimethylamino)acetyl]phenyl]propan-2-yl]phenyl]ethanone?
2-(dimethylamino)-1-[4-[2-[3-[2-(dimethylamino)acetyl]phenyl]propan-2-yl]phenyl]ethanone has a molecular weight of 366.51 g/mol, XLogP of 3.50, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[4-[2-[3-[2-(dimethylamino)acetyl]phenyl]propan-2-yl]phenyl]ethanone is sourced from PubChem (CID 73213854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).