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1-[4-(dimethylamino)phenyl]-3-[[4-[4-(dimethylamino)phenyl]-4-oxobutan-2-yl]-methylamino]butan-1-one

C25H35N3O2 — CID 57211364

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[4-(dimethylamino)phenyl]-3-[[4-[4-(dimethylamino)phenyl]-4-oxobutan-2-yl]-methylamino]butan-1-one
SMILESCC(CC(=O)c1ccc(N(C)C)cc1)N(C)C(C)CC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C25H35N3O2/c1-18(16-24(29)20-8-12-22(13-9-20)26(3)4)28(7)19(2)17-25(30)21-10-14-23(15-11-21)27(5)6/h8-15,18-19H,16-17H2,1-7H3
InChIKeyGDHMLXFDEPFTAI-UHFFFAOYSA-N
MW409.57 g/mol
LogP4.37
Rot. Bonds10

About 1-[4-(dimethylamino)phenyl]-3-[[4-[4-(dimethylamino)phenyl]-4-oxobutan-2-yl]-methylamino]butan-1-one

1-[4-(dimethylamino)phenyl]-3-[[4-[4-(dimethylamino)phenyl]-4-oxobutan-2-yl]-methylamino]butan-1-one (PubChem CID 57211364) has the molecular formula C25H35N3O2 and a molecular weight of 409.57 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-3-[[4-[4-(dimethylamino)phenyl]-4-oxobutan-2-yl]-methylamino]butan-1-one.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-3-[[4-[4-(dimethylamino)phenyl]-4-oxobutan-2-yl]-methylamino]butan-1-one
PubChem CID57211364
Molecular FormulaC25H35N3O2
Molecular Weight409.57 g/mol
Exact Mass409.27
IUPAC Name1-[4-(dimethylamino)phenyl]-3-[[4-[4-(dimethylamino)phenyl]-4-oxobutan-2-yl]-methylamino]butan-1-one
SMILESCC(CC(=O)c1ccc(N(C)C)cc1)N(C)C(C)CC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C25H35N3O2/c1-18(16-24(29)20-8-12-22(13-9-20)26(3)4)28(7)19(2)17-25(30)21-10-14-23(15-11-21)27(5)6/h8-15,18-19H,16-17H2,1-7H3
InChIKeyGDHMLXFDEPFTAI-UHFFFAOYSA-N
XLogP4.37
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.57
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-3-[[4-[4-(dimethylamino)phenyl]-4-oxobutan-2-yl]-methylamino]butan-1-one?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-3-[[4-[4-(dimethylamino)phenyl]-4-oxobutan-2-yl]-methylamino]butan-1-one (CID 57211364) is 1-[4-(dimethylamino)phenyl]-3-[[4-[4-(dimethylamino)phenyl]-4-oxobutan-2-yl]-methylamino]butan-1-one.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-3-[[4-[4-(dimethylamino)phenyl]-4-oxobutan-2-yl]-methylamino]butan-1-one?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-3-[[4-[4-(dimethylamino)phenyl]-4-oxobutan-2-yl]-methylamino]butan-1-one is CC(CC(=O)c1ccc(N(C)C)cc1)N(C)C(C)CC(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-3-[[4-[4-(dimethylamino)phenyl]-4-oxobutan-2-yl]-methylamino]butan-1-one?
The InChIKey is GDHMLXFDEPFTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O2/c1-18(16-24(29)20-8-12-22(13-9-20)26(3)4)28(7)19(2)17-25(30)21-10-14-23(15-11-21)27(5)6/h8-15,18-19H,16-17H2,1-7H3.
What are the key properties of 1-[4-(dimethylamino)phenyl]-3-[[4-[4-(dimethylamino)phenyl]-4-oxobutan-2-yl]-methylamino]butan-1-one?
1-[4-(dimethylamino)phenyl]-3-[[4-[4-(dimethylamino)phenyl]-4-oxobutan-2-yl]-methylamino]butan-1-one has a molecular weight of 409.57 g/mol, XLogP of 4.37, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-3-[[4-[4-(dimethylamino)phenyl]-4-oxobutan-2-yl]-methylamino]butan-1-one is sourced from PubChem (CID 57211364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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