N-[2-methoxy-5-[[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]methyl]phenyl]acetamide

C17H23F3N2O2 — CID 99626257

IUPACN-[2-methoxy-5-[[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]methyl]phenyl]acetamide
SMILESCOc1ccc(CN[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1NC(C)=O
InChIInChI=1S/C17H23F3N2O2/c1-11(23)22-15-8-12(6-7-16(15)24-2)10-21-14-5-3-4-13(9-14)17(18,19)20/h6-8,13-14,21H,3-5,9-10H2,1-2H3,(H,22,23)/t13-,14-/m1/s1
InChIKeyMVPUGKRPNYKDOT-ZIAGYGMSSA-N
MW344.38 g/mol
LogP3.86
Rot. Bonds5

About N-[2-methoxy-5-[[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]methyl]phenyl]acetamide

N-[2-methoxy-5-[[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]methyl]phenyl]acetamide (PubChem CID 99626257) has the molecular formula C17H23F3N2O2 and a molecular weight of 344.38 g/mol. Its IUPAC name is N-[2-methoxy-5-[[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]methyl]phenyl]acetamide
PubChem CID99626257
Molecular FormulaC17H23F3N2O2
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC NameN-[2-methoxy-5-[[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]methyl]phenyl]acetamide
SMILESCOc1ccc(CN[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1NC(C)=O
InChIInChI=1S/C17H23F3N2O2/c1-11(23)22-15-8-12(6-7-16(15)24-2)10-21-14-5-3-4-13(9-14)17(18,19)20/h6-8,13-14,21H,3-5,9-10H2,1-2H3,(H,22,23)/t13-,14-/m1/s1
InChIKeyMVPUGKRPNYKDOT-ZIAGYGMSSA-N
XLogP3.86
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-methoxy-5-[[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]methyl]phenyl]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-[2-methoxy-5-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]sulfamoyl]phenyl]acetamide
CID 32686079
N-[2-methoxy-5-[[[(3S)-spiro[3.4]octan-3-yl]amino]methyl]phenyl]acetamide
CID 100690841
2-(5-acetyl-2-methoxyphenyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 18147803
N-[(3-bromo-4-methylphenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 105401359
3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]benzamide
CID 60977331
[3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]phenyl]methanol
CID 102609613
N-[5-[2-(cyclopropylamino)ethyl]-2-methoxyphenyl]acetamide
CID 98015785
methyl 5-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]furan-3-carboxylate
CID 104585934
1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,3-diamine
CID 79458725
3,4,5-trimethoxy-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]benzamide
CID 7120710
3-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 64741608
N-[(3-acetamido-4-methoxyphenyl)methyl]propanamide
CID 110783895

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]methyl]phenyl]acetamide?
The IUPAC name of N-[2-methoxy-5-[[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]methyl]phenyl]acetamide (CID 99626257) is N-[2-methoxy-5-[[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[2-methoxy-5-[[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[2-methoxy-5-[[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]methyl]phenyl]acetamide is COc1ccc(CN[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1NC(C)=O.
What is the InChIKey of N-[2-methoxy-5-[[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]methyl]phenyl]acetamide?
The InChIKey is MVPUGKRPNYKDOT-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H23F3N2O2/c1-11(23)22-15-8-12(6-7-16(15)24-2)10-21-14-5-3-4-13(9-14)17(18,19)20/h6-8,13-14,21H,3-5,9-10H2,1-2H3,(H,22,23)/t13-,14-/m1/s1.
What are the key properties of N-[2-methoxy-5-[[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]methyl]phenyl]acetamide?
N-[2-methoxy-5-[[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]methyl]phenyl]acetamide has a molecular weight of 344.38 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]methyl]phenyl]acetamide is sourced from PubChem (CID 99626257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).