4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-(3-fluorophenyl)butanamide

C24H42FN3O — CID 12612276

IUPAC4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-(3-fluorophenyl)butanamide
SMILESCC(C)N(CCC(CCN(C(C)C)C(C)C)(C(N)=O)c1cccc(F)c1)C(C)C
InChIInChI=1S/C24H42FN3O/c1-17(2)27(18(3)4)14-12-24(23(26)29,21-10-9-11-22(25)16-21)13-15-28(19(5)6)20(7)8/h9-11,16-20H,12-15H2,1-8H3,(H2,26,29)
InChIKeyIWZGZLZFZZPLRN-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-(3-fluorophenyl)butanamide

4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-(3-fluorophenyl)butanamide (PubChem CID 12612276) 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-(3-fluorophenyl)butanamide.

Molecular Properties

Compound Name4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-(3-fluorophenyl)butanamide
PubChem CID12612276
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-(3-fluorophenyl)butanamide
SMILESCC(C)N(CCC(CCN(C(C)C)C(C)C)(C(N)=O)c1cccc(F)c1)C(C)C
InChIInChI=1S/C24H42FN3O/c1-17(2)27(18(3)4)14-12-24(23(26)29,21-10-9-11-22(25)16-21)13-15-28(19(5)6)20(7)8/h9-11,16-20H,12-15H2,1-8H3,(H2,26,29)
InChIKeyIWZGZLZFZZPLRN-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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Related Compounds

Milnacipran
CID 65833
Levomilnacipran
CID 6917779
Isopropamide
CID 3775
Isopropamide Iodide
CID 6284
Dextromilnacipran
CID 11622909
Fenpiverinium Bromide
CID 71489
Sameridine
CID 65996
Fenpiverinium
CID 71490
Aminopentamide
CID 22565
Butyramide, 4-diisopropylamino-2,2-diphenyl-
CID 38310
1,5-Dimethyl-3,3-diphenylpyrrolidin-2-one
CID 207584
Aminopentamide Sulfate
CID 176163

Frequently Asked Questions

What is the IUPAC name of 4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-(3-fluorophenyl)butanamide?
The IUPAC name of 4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-(3-fluorophenyl)butanamide (CID 12612276) is 4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-(3-fluorophenyl)butanamide.
What is the SMILES notation for 4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-(3-fluorophenyl)butanamide?
The canonical SMILES for 4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-(3-fluorophenyl)butanamide is CC(C)N(CCC(CCN(C(C)C)C(C)C)(C(N)=O)c1cccc(F)c1)C(C)C.
What is the InChIKey of 4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-(3-fluorophenyl)butanamide?
The InChIKey is IWZGZLZFZZPLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42FN3O/c1-17(2)27(18(3)4)14-12-24(23(26)29,21-10-9-11-22(25)16-21)13-15-28(19(5)6)20(7)8/h9-11,16-20H,12-15H2,1-8H3,(H2,26,29).
What are the key properties of 4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-(3-fluorophenyl)butanamide?
4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-(3-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-(3-fluorophenyl)butanamide is sourced from PubChem (CID 12612276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).