4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-(4-fluorophenyl)butanamide

C24H42FN3O — CID 12612275

IUPAC4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-(4-fluorophenyl)butanamide
SMILESCC(C)N(CCC(CCN(C(C)C)C(C)C)(C(N)=O)c1ccc(F)cc1)C(C)C
InChIInChI=1S/C24H42FN3O/c1-17(2)27(18(3)4)15-13-24(23(26)29,21-9-11-22(25)12-10-21)14-16-28(19(5)6)20(7)8/h9-12,17-20H,13-16H2,1-8H3,(H2,26,29)
InChIKeySEMFZYWRXHNXHR-UHFFFAOYSA-N
MW407.62 g/mol
LogP4.57
Rot. Bonds12

About 4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-(4-fluorophenyl)butanamide

4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-(4-fluorophenyl)butanamide (PubChem CID 12612275) has the molecular formula C24H42FN3O and a molecular weight of 407.62 g/mol. Its IUPAC name is 4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-(4-fluorophenyl)butanamide.

Molecular Properties

Compound Name4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-(4-fluorophenyl)butanamide
PubChem CID12612275
Molecular FormulaC24H42FN3O
Molecular Weight407.62 g/mol
Exact Mass407.33
IUPAC Name4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-(4-fluorophenyl)butanamide
SMILESCC(C)N(CCC(CCN(C(C)C)C(C)C)(C(N)=O)c1ccc(F)cc1)C(C)C
InChIInChI=1S/C24H42FN3O/c1-17(2)27(18(3)4)15-13-24(23(26)29,21-9-11-22(25)12-10-21)14-16-28(19(5)6)20(7)8/h9-12,17-20H,13-16H2,1-8H3,(H2,26,29)
InChIKeySEMFZYWRXHNXHR-UHFFFAOYSA-N
XLogP4.57
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.62
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-(4-fluorophenyl)butanamide?
The IUPAC name of 4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-(4-fluorophenyl)butanamide (CID 12612275) is 4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-(4-fluorophenyl)butanamide.
What is the SMILES notation for 4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-(4-fluorophenyl)butanamide?
The canonical SMILES for 4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-(4-fluorophenyl)butanamide is CC(C)N(CCC(CCN(C(C)C)C(C)C)(C(N)=O)c1ccc(F)cc1)C(C)C.
What is the InChIKey of 4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-(4-fluorophenyl)butanamide?
The InChIKey is SEMFZYWRXHNXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42FN3O/c1-17(2)27(18(3)4)15-13-24(23(26)29,21-9-11-22(25)12-10-21)14-16-28(19(5)6)20(7)8/h9-12,17-20H,13-16H2,1-8H3,(H2,26,29).
What are the key properties of 4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-(4-fluorophenyl)butanamide?
4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-(4-fluorophenyl)butanamide has a molecular weight of 407.62 g/mol, XLogP of 4.57, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-(4-fluorophenyl)butanamide is sourced from PubChem (CID 12612275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).