N-(methylcarbamoyl)-2-[[2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]acetamide

C15H20F3N3O2 — CID 122150598

IUPACN-(methylcarbamoyl)-2-[[2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]acetamide
SMILESCNC(=O)NC(=O)CNC(C)(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3N3O2/c1-14(2,20-9-12(22)21-13(23)19-3)8-10-4-6-11(7-5-10)15(16,17)18/h4-7,20H,8-9H2,1-3H3,(H2,19,21,22,23)
InChIKeyQSOWDILMEVQFAK-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.07
Rot. Bonds5

About N-(methylcarbamoyl)-2-[[2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]acetamide

N-(methylcarbamoyl)-2-[[2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]acetamide (PubChem CID 122150598) has the molecular formula C15H20F3N3O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is N-(methylcarbamoyl)-2-[[2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-(methylcarbamoyl)-2-[[2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]acetamide
PubChem CID122150598
Molecular FormulaC15H20F3N3O2
Molecular Weight331.34 g/mol
Exact Mass331.15
IUPAC NameN-(methylcarbamoyl)-2-[[2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]acetamide
SMILESCNC(=O)NC(=O)CNC(C)(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3N3O2/c1-14(2,20-9-12(22)21-13(23)19-3)8-10-4-6-11(7-5-10)15(16,17)18/h4-7,20H,8-9H2,1-3H3,(H2,19,21,22,23)
InChIKeyQSOWDILMEVQFAK-UHFFFAOYSA-N
XLogP2.07
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl-[2-(methylcarbamoylamino)-2-oxoethyl]-[[4-(trifluoromethyl)phenyl]methyl]azanium
CID 8710176
4-[[[2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]methyl]benzoic acid
CID 122033290
2,4,4-trimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine
CID 43434184
1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene
CID 14921472
2-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]butanoic acid
CID 55106534
N-methyl-3-[4-(trifluoromethyl)anilino]propanamide
CID 62326575
N-[3-(methylamino)propyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62115395
N-(1-amino-2-methylpropan-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119523391
ethane;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 144998983
2-methyl-2-[[4-(trifluoromethyl)phenyl]methylamino]propane-1,3-diol
CID 79810535
N-carbamoyl-2-[4-(trifluoromethyl)anilino]acetamide
CID 26507967
1-(3,3,3-trifluoro-2,2-dimethylpropyl)-4-(trifluoromethyl)benzene
CID 139245832

Frequently Asked Questions

What is the IUPAC name of N-(methylcarbamoyl)-2-[[2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]acetamide?
The IUPAC name of N-(methylcarbamoyl)-2-[[2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]acetamide (CID 122150598) is N-(methylcarbamoyl)-2-[[2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]acetamide.
What is the SMILES notation for N-(methylcarbamoyl)-2-[[2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]acetamide?
The canonical SMILES for N-(methylcarbamoyl)-2-[[2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]acetamide is CNC(=O)NC(=O)CNC(C)(C)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(methylcarbamoyl)-2-[[2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]acetamide?
The InChIKey is QSOWDILMEVQFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O2/c1-14(2,20-9-12(22)21-13(23)19-3)8-10-4-6-11(7-5-10)15(16,17)18/h4-7,20H,8-9H2,1-3H3,(H2,19,21,22,23).
What are the key properties of N-(methylcarbamoyl)-2-[[2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]acetamide?
N-(methylcarbamoyl)-2-[[2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]acetamide has a molecular weight of 331.34 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylcarbamoyl)-2-[[2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]acetamide is sourced from PubChem (CID 122150598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).