N-[1-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide

C24H32FN3O2 — CID 55949349

IUPACN-[1-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(CC(C)C)C(=O)NCC(c1ccc(F)cc1)N(C)C
InChIInChI=1S/C24H32FN3O2/c1-16(2)14-21(27-23(29)20-9-7-6-8-17(20)3)24(30)26-15-22(28(4)5)18-10-12-19(25)13-11-18/h6-13,16,21-22H,14-15H2,1-5H3,(H,26,30)(H,27,29)
InChIKeyNROVTSQRRGRQBC-UHFFFAOYSA-N
MW413.54 g/mol
LogP3.70
Rot. Bonds9

About N-[1-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide

N-[1-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide (PubChem CID 55949349) has the molecular formula C24H32FN3O2 and a molecular weight of 413.54 g/mol. Its IUPAC name is N-[1-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
PubChem CID55949349
Molecular FormulaC24H32FN3O2
Molecular Weight413.54 g/mol
Exact Mass413.25
IUPAC NameN-[1-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(CC(C)C)C(=O)NCC(c1ccc(F)cc1)N(C)C
InChIInChI=1S/C24H32FN3O2/c1-16(2)14-21(27-23(29)20-9-7-6-8-17(20)3)24(30)26-15-22(28(4)5)18-10-12-19(25)13-11-18/h6-13,16,21-22H,14-15H2,1-5H3,(H,26,30)(H,27,29)
InChIKeyNROVTSQRRGRQBC-UHFFFAOYSA-N
XLogP3.70
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[[(2R)-2-(ethylamino)propyl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide;hydrochloride
CID 120651928
N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 47101431
N-[1-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 55328675
2-methyl-N-[(2R)-4-methyl-1-oxo-1-(2-phenylsulfanylethylamino)pentan-2-yl]benzamide
CID 9482953
2-methyl-N-[4-methyl-1-[3-[methyl(methylsulfonyl)amino]propylamino]-1-oxopentan-2-yl]benzamide
CID 46434255
2-methyl-N-[(2S)-4-methyl-1-(2-methylsulfanylanilino)-1-oxopentan-2-yl]benzamide
CID 41013790
N-[(2R)-1-[2-(2-fluorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 9402546
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-methylbenzamide
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N-[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 26002664
2-methyl-N-[4-methyl-1-(5-methylhexan-2-ylamino)-1-oxopentan-2-yl]benzamide
CID 112789345
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(4-fluorophenyl)-2-methylpropanamide
CID 110302878
(3S)-3-[[(2S)-4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]butanoic acid
CID 97072625

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
The IUPAC name of N-[1-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide (CID 55949349) is N-[1-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide is Cc1ccccc1C(=O)NC(CC(C)C)C(=O)NCC(c1ccc(F)cc1)N(C)C.
What is the InChIKey of N-[1-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
The InChIKey is NROVTSQRRGRQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN3O2/c1-16(2)14-21(27-23(29)20-9-7-6-8-17(20)3)24(30)26-15-22(28(4)5)18-10-12-19(25)13-11-18/h6-13,16,21-22H,14-15H2,1-5H3,(H,26,30)(H,27,29).
What are the key properties of N-[1-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
N-[1-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide has a molecular weight of 413.54 g/mol, XLogP of 3.70, 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)-2-(4-fluorophenyl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide is sourced from PubChem (CID 55949349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).