N,N,4-trimethyl-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propylcarbamoylamino]benzamide

C17H25F3N4O2 — CID 51116577

IUPACN,N,4-trimethyl-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propylcarbamoylamino]benzamide
SMILESCc1ccc(C(=O)N(C)C)cc1NC(=O)NCCCN(C)CC(F)(F)F
InChIInChI=1S/C17H25F3N4O2/c1-12-6-7-13(15(25)23(2)3)10-14(12)22-16(26)21-8-5-9-24(4)11-17(18,19)20/h6-7,10H,5,8-9,11H2,1-4H3,(H2,21,22,26)
InChIKeyFSDPSEQHBDFVGH-UHFFFAOYSA-N
MW374.41 g/mol
LogP2.70
Rot. Bonds7

About N,N,4-trimethyl-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propylcarbamoylamino]benzamide

N,N,4-trimethyl-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propylcarbamoylamino]benzamide (PubChem CID 51116577) has the molecular formula C17H25F3N4O2 and a molecular weight of 374.41 g/mol. Its IUPAC name is N,N,4-trimethyl-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propylcarbamoylamino]benzamide.

Molecular Properties

Compound NameN,N,4-trimethyl-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propylcarbamoylamino]benzamide
PubChem CID51116577
Molecular FormulaC17H25F3N4O2
Molecular Weight374.41 g/mol
Exact Mass374.19
IUPAC NameN,N,4-trimethyl-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propylcarbamoylamino]benzamide
SMILESCc1ccc(C(=O)N(C)C)cc1NC(=O)NCCCN(C)CC(F)(F)F
InChIInChI=1S/C17H25F3N4O2/c1-12-6-7-13(15(25)23(2)3)10-14(12)22-16(26)21-8-5-9-24(4)11-17(18,19)20/h6-7,10H,5,8-9,11H2,1-4H3,(H2,21,22,26)
InChIKeyFSDPSEQHBDFVGH-UHFFFAOYSA-N
XLogP2.70
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-dimethylphenyl)-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]urea
CID 47034718
1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]urea
CID 55701940
N-[(2-fluorophenyl)methyl]-4-[3-[methyl(2,2,2-trifluoroethyl)amino]propylcarbamoylamino]benzamide
CID 55809066
N,N,4-trimethyl-3-(propanoylamino)benzamide
CID 60650905
1-(4-methyl-1,3-thiazol-2-yl)-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]urea
CID 47206096
1-(4-ethoxyphenyl)-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]urea
CID 47034682
3-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methylbenzoic acid
CID 61198572
N,N,4-trimethyl-3-(pentan-2-ylcarbamoylamino)benzamide
CID 47041438
3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propylcarbamoylamino]-N,N,4-trimethylbenzamide
CID 51116578
N,N,4-trimethyl-3-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride
CID 119719084
3-[[(2S)-2-aminobutanoyl]amino]-N,N,4-trimethylbenzamide
CID 79024817
N,N,4-trimethyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]benzamide
CID 87009765

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propylcarbamoylamino]benzamide?
The IUPAC name of N,N,4-trimethyl-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propylcarbamoylamino]benzamide (CID 51116577) is N,N,4-trimethyl-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propylcarbamoylamino]benzamide.
What is the SMILES notation for N,N,4-trimethyl-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propylcarbamoylamino]benzamide?
The canonical SMILES for N,N,4-trimethyl-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propylcarbamoylamino]benzamide is Cc1ccc(C(=O)N(C)C)cc1NC(=O)NCCCN(C)CC(F)(F)F.
What is the InChIKey of N,N,4-trimethyl-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propylcarbamoylamino]benzamide?
The InChIKey is FSDPSEQHBDFVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N4O2/c1-12-6-7-13(15(25)23(2)3)10-14(12)22-16(26)21-8-5-9-24(4)11-17(18,19)20/h6-7,10H,5,8-9,11H2,1-4H3,(H2,21,22,26).
What are the key properties of N,N,4-trimethyl-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propylcarbamoylamino]benzamide?
N,N,4-trimethyl-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propylcarbamoylamino]benzamide has a molecular weight of 374.41 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propylcarbamoylamino]benzamide is sourced from PubChem (CID 51116577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).