N-(2,6-dimethylphenyl)-2-[[2-[(4-fluorophenyl)methyl-methylamino]acetyl]amino]acetamide

C20H24FN3O2 — CID 9251811

IUPACN-(2,6-dimethylphenyl)-2-[[2-[(4-fluorophenyl)methyl-methylamino]acetyl]amino]acetamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)CN(C)Cc1ccc(F)cc1
InChIInChI=1S/C20H24FN3O2/c1-14-5-4-6-15(2)20(14)23-18(25)11-22-19(26)13-24(3)12-16-7-9-17(21)10-8-16/h4-10H,11-13H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyHQBOQIMZTQFCCD-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.63
Rot. Bonds7

About N-(2,6-dimethylphenyl)-2-[[2-[(4-fluorophenyl)methyl-methylamino]acetyl]amino]acetamide

N-(2,6-dimethylphenyl)-2-[[2-[(4-fluorophenyl)methyl-methylamino]acetyl]amino]acetamide (PubChem CID 9251811) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[[2-[(4-fluorophenyl)methyl-methylamino]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[[2-[(4-fluorophenyl)methyl-methylamino]acetyl]amino]acetamide
PubChem CID9251811
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC NameN-(2,6-dimethylphenyl)-2-[[2-[(4-fluorophenyl)methyl-methylamino]acetyl]amino]acetamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)CN(C)Cc1ccc(F)cc1
InChIInChI=1S/C20H24FN3O2/c1-14-5-4-6-15(2)20(14)23-18(25)11-22-19(26)13-24(3)12-16-7-9-17(21)10-8-16/h4-10H,11-13H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyHQBOQIMZTQFCCD-UHFFFAOYSA-N
XLogP2.63
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methyl-methylamino]propanamide
CID 9041912
2-[(4-bromophenyl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 9221968
N-(2,6-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2451655
N-(2,6-dimethylphenyl)-2-[[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetyl]amino]acetamide
CID 9102594
2-[[2-[(2,3-dichlorophenyl)methyl-methylamino]acetyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 9039473
N-(2,6-dimethylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8799242
N-(2,6-dimethylphenyl)-2-[(4-fluorophenyl)carbamothioylamino]acetamide
CID 8790825
N-[(4-fluorophenyl)methyl]-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 8964387
2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 27243408
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide
CID 112769821
N-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2714145
2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 113164396

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[[2-[(4-fluorophenyl)methyl-methylamino]acetyl]amino]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[[2-[(4-fluorophenyl)methyl-methylamino]acetyl]amino]acetamide (CID 9251811) is N-(2,6-dimethylphenyl)-2-[[2-[(4-fluorophenyl)methyl-methylamino]acetyl]amino]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[[2-[(4-fluorophenyl)methyl-methylamino]acetyl]amino]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[[2-[(4-fluorophenyl)methyl-methylamino]acetyl]amino]acetamide is Cc1cccc(C)c1NC(=O)CNC(=O)CN(C)Cc1ccc(F)cc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[[2-[(4-fluorophenyl)methyl-methylamino]acetyl]amino]acetamide?
The InChIKey is HQBOQIMZTQFCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-14-5-4-6-15(2)20(14)23-18(25)11-22-19(26)13-24(3)12-16-7-9-17(21)10-8-16/h4-10H,11-13H2,1-3H3,(H,22,26)(H,23,25).
What are the key properties of N-(2,6-dimethylphenyl)-2-[[2-[(4-fluorophenyl)methyl-methylamino]acetyl]amino]acetamide?
N-(2,6-dimethylphenyl)-2-[[2-[(4-fluorophenyl)methyl-methylamino]acetyl]amino]acetamide has a molecular weight of 357.43 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[[2-[(4-fluorophenyl)methyl-methylamino]acetyl]amino]acetamide is sourced from PubChem (CID 9251811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).