6-acetamido-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]hexanamide

C17H23F3N2O2 — CID 112791738

IUPAC6-acetamido-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]hexanamide
SMILESCC(=O)NCCCCCC(=O)N(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H23F3N2O2/c1-13(23)21-11-5-3-4-6-16(24)22(2)12-14-7-9-15(10-8-14)17(18,19)20/h7-10H,3-6,11-12H2,1-2H3,(H,21,23)
InChIKeyVQARTXXBICKXBF-UHFFFAOYSA-N
MW344.38 g/mol
LogP3.36
Rot. Bonds8

About 6-acetamido-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]hexanamide

6-acetamido-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]hexanamide (PubChem CID 112791738) has the molecular formula C17H23F3N2O2 and a molecular weight of 344.38 g/mol. Its IUPAC name is 6-acetamido-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]hexanamide.

Molecular Properties

Compound Name6-acetamido-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]hexanamide
PubChem CID112791738
Molecular FormulaC17H23F3N2O2
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC Name6-acetamido-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]hexanamide
SMILESCC(=O)NCCCCCC(=O)N(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H23F3N2O2/c1-13(23)21-11-5-3-4-6-16(24)22(2)12-14-7-9-15(10-8-14)17(18,19)20/h7-10H,3-6,11-12H2,1-2H3,(H,21,23)
InChIKeyVQARTXXBICKXBF-UHFFFAOYSA-N
XLogP3.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-acetamido-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]hexanamide
CID 39490122
N-methyl-3-(propan-2-ylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 61259107
3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropanoic acid
CID 62231889
2-methyl-N-[3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropyl]benzamide
CID 24503498
tert-butyl N-[6-[(4-aminophenyl)methyl-methylamino]-6-oxohexyl]carbamate
CID 178019449
N-[4-[(4-tert-butylphenyl)methyl-methylamino]-4-oxobutyl]benzamide
CID 39757925
N-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
CID 90694637
N-methyl-3-phenoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 112791829
ethyl 4-[[N,N'-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamimidoyl]amino]butanoate
CID 111299575
4-(3-fluorophenoxy)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 55929431
4-(5-chlorothiophen-2-yl)-N-methyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 55347528
2-(4-bromophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55330788

Frequently Asked Questions

What is the IUPAC name of 6-acetamido-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]hexanamide?
The IUPAC name of 6-acetamido-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]hexanamide (CID 112791738) is 6-acetamido-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]hexanamide.
What is the SMILES notation for 6-acetamido-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]hexanamide?
The canonical SMILES for 6-acetamido-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]hexanamide is CC(=O)NCCCCCC(=O)N(C)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 6-acetamido-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]hexanamide?
The InChIKey is VQARTXXBICKXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O2/c1-13(23)21-11-5-3-4-6-16(24)22(2)12-14-7-9-15(10-8-14)17(18,19)20/h7-10H,3-6,11-12H2,1-2H3,(H,21,23).
What are the key properties of 6-acetamido-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]hexanamide?
6-acetamido-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]hexanamide has a molecular weight of 344.38 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]hexanamide is sourced from PubChem (CID 112791738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).