2-[2-(4-methoxyphenyl)azepan-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

C18H25F3N2O2 — CID 60505377

IUPAC2-[2-(4-methoxyphenyl)azepan-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOc1ccc(C2CCCCCN2CC(=O)N(C)CC(F)(F)F)cc1
InChIInChI=1S/C18H25F3N2O2/c1-22(13-18(19,20)21)17(24)12-23-11-5-3-4-6-16(23)14-7-9-15(25-2)10-8-14/h7-10,16H,3-6,11-13H2,1-2H3
InChIKeyVDKKKWFCGNPBCF-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.63
Rot. Bonds5

About 2-[2-(4-methoxyphenyl)azepan-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

2-[2-(4-methoxyphenyl)azepan-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60505377) has the molecular formula C18H25F3N2O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)azepan-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)azepan-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60505377
Molecular FormulaC18H25F3N2O2
Molecular Weight358.40 g/mol
Exact Mass358.19
IUPAC Name2-[2-(4-methoxyphenyl)azepan-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOc1ccc(C2CCCCCN2CC(=O)N(C)CC(F)(F)F)cc1
InChIInChI=1S/C18H25F3N2O2/c1-22(13-18(19,20)21)17(24)12-23-11-5-3-4-6-16(23)14-7-9-15(25-2)10-8-14/h7-10,16H,3-6,11-13H2,1-2H3
InChIKeyVDKKKWFCGNPBCF-UHFFFAOYSA-N
XLogP3.63
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[2-(4-methoxyphenyl)azepan-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-bis(2-cyanoethyl)-2-[2-(4-methoxyphenyl)azepan-1-yl]acetamide
CID 60570471
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-N-methylacetamide
CID 51673209
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]-N-methylacetamide
CID 124811995
N,N-dibutyl-2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 174948159
N-[[4-(dimethylamino)phenyl]methyl]-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetamide
CID 41083446
4-[2-(4-methoxyphenyl)azepan-1-yl]butanoic acid
CID 119134501
2-[2-(4-methoxyphenyl)azepan-1-yl]-N-pentan-3-ylacetamide
CID 18094941
2-[2-[4-(4-methoxyphenoxy)phenyl]pyrrolidin-1-yl]acetic acid
CID 24845352
methyl N-[2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]-N-methylcarbamate
CID 94160238
2-(4-methoxyphenyl)-1-(4-methylsulfonylbutyl)azepane
CID 86779105
N-tert-butyl-2-[4-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetyl]piperazin-1-yl]acetamide
CID 41118319
N-[(2-fluorophenyl)carbamoyl]-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]acetamide
CID 9292636

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)azepan-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[2-(4-methoxyphenyl)azepan-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (CID 60505377) is 2-[2-(4-methoxyphenyl)azepan-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)azepan-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[2-(4-methoxyphenyl)azepan-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is COc1ccc(C2CCCCCN2CC(=O)N(C)CC(F)(F)F)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)azepan-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is VDKKKWFCGNPBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O2/c1-22(13-18(19,20)21)17(24)12-23-11-5-3-4-6-16(23)14-7-9-15(25-2)10-8-14/h7-10,16H,3-6,11-13H2,1-2H3.
What are the key properties of 2-[2-(4-methoxyphenyl)azepan-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
2-[2-(4-methoxyphenyl)azepan-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 358.40 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)azepan-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60505377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).