N-[1-[[2-(dimethylamino)-3-phenylpropyl]amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide

C23H30FN3O2 — CID 55337367

IUPACN-[1-[[2-(dimethylamino)-3-phenylpropyl]amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
SMILESCC(C)C(NC(=O)c1ccc(F)cc1)C(=O)NCC(Cc1ccccc1)N(C)C
InChIInChI=1S/C23H30FN3O2/c1-16(2)21(26-22(28)18-10-12-19(24)13-11-18)23(29)25-15-20(27(3)4)14-17-8-6-5-7-9-17/h5-13,16,20-21H,14-15H2,1-4H3,(H,25,29)(H,26,28)
InChIKeyRSTUTQHJAJKRHV-UHFFFAOYSA-N
MW399.51 g/mol
LogP2.87
Rot. Bonds9

About N-[1-[[2-(dimethylamino)-3-phenylpropyl]amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide

N-[1-[[2-(dimethylamino)-3-phenylpropyl]amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide (PubChem CID 55337367) has the molecular formula C23H30FN3O2 and a molecular weight of 399.51 g/mol. Its IUPAC name is N-[1-[[2-(dimethylamino)-3-phenylpropyl]amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[[2-(dimethylamino)-3-phenylpropyl]amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
PubChem CID55337367
Molecular FormulaC23H30FN3O2
Molecular Weight399.51 g/mol
Exact Mass399.23
IUPAC NameN-[1-[[2-(dimethylamino)-3-phenylpropyl]amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
SMILESCC(C)C(NC(=O)c1ccc(F)cc1)C(=O)NCC(Cc1ccccc1)N(C)C
InChIInChI=1S/C23H30FN3O2/c1-16(2)21(26-22(28)18-10-12-19(24)13-11-18)23(29)25-15-20(27(3)4)14-17-8-6-5-7-9-17/h5-13,16,20-21H,14-15H2,1-4H3,(H,25,29)(H,26,28)
InChIKeyRSTUTQHJAJKRHV-UHFFFAOYSA-N
XLogP2.87
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.51
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[[2-(dimethylamino)-3-phenylpropyl]amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 51150484
2-[[[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]methyl]-4-methylpentanoic acid
CID 119252939
N-[2-(dimethylamino)-3-phenylpropyl]-2-methylbutanamide
CID 51075787
4-fluoro-N-[(2S)-1-(2-hydroxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 24535614
N-[1-[2-(benzylcarbamothioyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 18228792
N-[1-[[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]amino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
CID 47074597
N-[(2S)-1-[(3-chlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 7997570
N-[1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 3911653
N-[1-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 24661069
N-[2-(dimethylamino)-3-phenylpropyl]-2-(4-fluorophenoxy)acetamide
CID 51305430
4-fluoro-N-[(2R)-1-(4-fluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 95264771
4-fluoro-N-[(2S)-3-methyl-1-oxo-1-(prop-2-enylamino)butan-2-yl]benzamide
CID 8008521

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(dimethylamino)-3-phenylpropyl]amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide?
The IUPAC name of N-[1-[[2-(dimethylamino)-3-phenylpropyl]amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide (CID 55337367) is N-[1-[[2-(dimethylamino)-3-phenylpropyl]amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-[[2-(dimethylamino)-3-phenylpropyl]amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide?
The canonical SMILES for N-[1-[[2-(dimethylamino)-3-phenylpropyl]amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide is CC(C)C(NC(=O)c1ccc(F)cc1)C(=O)NCC(Cc1ccccc1)N(C)C.
What is the InChIKey of N-[1-[[2-(dimethylamino)-3-phenylpropyl]amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide?
The InChIKey is RSTUTQHJAJKRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O2/c1-16(2)21(26-22(28)18-10-12-19(24)13-11-18)23(29)25-15-20(27(3)4)14-17-8-6-5-7-9-17/h5-13,16,20-21H,14-15H2,1-4H3,(H,25,29)(H,26,28).
What are the key properties of N-[1-[[2-(dimethylamino)-3-phenylpropyl]amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide?
N-[1-[[2-(dimethylamino)-3-phenylpropyl]amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide has a molecular weight of 399.51 g/mol, XLogP of 2.87, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(dimethylamino)-3-phenylpropyl]amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide is sourced from PubChem (CID 55337367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).