N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(4-fluorophenyl)-2-methylpropanamide

C21H27FN2O — CID 110302878

IUPACN-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(4-fluorophenyl)-2-methylpropanamide
SMILESCc1ccc(C(CNC(=O)C(C)Cc2ccc(F)cc2)N(C)C)cc1
InChIInChI=1S/C21H27FN2O/c1-15-5-9-18(10-6-15)20(24(3)4)14-23-21(25)16(2)13-17-7-11-19(22)12-8-17/h5-12,16,20H,13-14H2,1-4H3,(H,23,25)
InChIKeyBPLVSCCEWVWDRH-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.73
Rot. Bonds7

About N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(4-fluorophenyl)-2-methylpropanamide

N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(4-fluorophenyl)-2-methylpropanamide (PubChem CID 110302878) has the molecular formula C21H27FN2O and a molecular weight of 342.46 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(4-fluorophenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(4-fluorophenyl)-2-methylpropanamide
PubChem CID110302878
Molecular FormulaC21H27FN2O
Molecular Weight342.46 g/mol
Exact Mass342.21
IUPAC NameN-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(4-fluorophenyl)-2-methylpropanamide
SMILESCc1ccc(C(CNC(=O)C(C)Cc2ccc(F)cc2)N(C)C)cc1
InChIInChI=1S/C21H27FN2O/c1-15-5-9-18(10-6-15)20(24(3)4)14-23-21(25)16(2)13-17-7-11-19(22)12-8-17/h5-12,16,20H,13-14H2,1-4H3,(H,23,25)
InChIKeyBPLVSCCEWVWDRH-UHFFFAOYSA-N
XLogP3.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluorophenyl)-2-methyl-N-(2-methylpropyl)propanamide
CID 48846361
(2R)-N-ethyl-3-(4-fluorophenyl)-2-methylpropanamide
CID 143947459
(2R)-N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-propan-2-ylsulfonylpropanamide
CID 94821438
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-(4-fluorophenyl)acetamide
CID 7495843
N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-N'-(2,2,2-trifluoroethyl)oxamide
CID 94219164
N-[1-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 55949349
4-methyl-2-[[[2-methyl-3-(4-methylphenyl)propanoyl]amino]methyl]pentanoic acid
CID 120688017
5-bromo-N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]furan-2-carboxamide
CID 41453654
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 45001828
1-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-ethylurea
CID 94214383
3-(4-fluorophenyl)-2-methyl-N-(2-methylsulfonylethyl)propanamide
CID 110357206
N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methyl-3-(4-methylphenyl)propanamide
CID 139000342

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(4-fluorophenyl)-2-methylpropanamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(4-fluorophenyl)-2-methylpropanamide (CID 110302878) is N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(4-fluorophenyl)-2-methylpropanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(4-fluorophenyl)-2-methylpropanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(4-fluorophenyl)-2-methylpropanamide is Cc1ccc(C(CNC(=O)C(C)Cc2ccc(F)cc2)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(4-fluorophenyl)-2-methylpropanamide?
The InChIKey is BPLVSCCEWVWDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O/c1-15-5-9-18(10-6-15)20(24(3)4)14-23-21(25)16(2)13-17-7-11-19(22)12-8-17/h5-12,16,20H,13-14H2,1-4H3,(H,23,25).
What are the key properties of N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(4-fluorophenyl)-2-methylpropanamide?
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(4-fluorophenyl)-2-methylpropanamide has a molecular weight of 342.46 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(4-fluorophenyl)-2-methylpropanamide is sourced from PubChem (CID 110302878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).