ethane;N-hydroxy-2,2-dimethyl-3-[methyl-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]amino]propanamide

C22H29F3N2O4 — CID 158550488

IUPACethane;N-hydroxy-2,2-dimethyl-3-[methyl-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]amino]propanamide
SMILESCC.CN(Cc1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)CC(C)(C)C(=O)NO
InChIInChI=1S/C20H23F3N2O4.C2H6/c1-19(2,18(26)24-27)13-25(3)12-14-4-6-15(7-5-14)28-16-8-10-17(11-9-16)29-20(21,22)23;1-2/h4-11,27H,12-13H2,1-3H3,(H,24,26);1-2H3
InChIKeyHPQRRMXILJRZQT-UHFFFAOYSA-N
MW442.48 g/mol
LogP5.37
Rot. Bonds8

About ethane;N-hydroxy-2,2-dimethyl-3-[methyl-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]amino]propanamide

ethane;N-hydroxy-2,2-dimethyl-3-[methyl-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]amino]propanamide (PubChem CID 158550488) has the molecular formula C22H29F3N2O4 and a molecular weight of 442.48 g/mol. Its IUPAC name is ethane;N-hydroxy-2,2-dimethyl-3-[methyl-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]amino]propanamide.

Molecular Properties

Compound Nameethane;N-hydroxy-2,2-dimethyl-3-[methyl-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]amino]propanamide
PubChem CID158550488
Molecular FormulaC22H29F3N2O4
Molecular Weight442.48 g/mol
Exact Mass442.21
IUPAC Nameethane;N-hydroxy-2,2-dimethyl-3-[methyl-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]amino]propanamide
SMILESCC.CN(Cc1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)CC(C)(C)C(=O)NO
InChIInChI=1S/C20H23F3N2O4.C2H6/c1-19(2,18(26)24-27)13-25(3)12-14-4-6-15(7-5-14)28-16-8-10-17(11-9-16)29-20(21,22)23;1-2/h4-11,27H,12-13H2,1-3H3,(H,24,26);1-2H3
InChIKeyHPQRRMXILJRZQT-UHFFFAOYSA-N
XLogP5.37
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.48
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethane;N-hydroxy-2,2-dimethyl-3-[methyl-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]amino]propanamide 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-hydroxy-2,2-dimethyl-3-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methylamino]propanamide;propane
CID 159450635
N',2,2-trimethyl-N'-[[4-(trifluoromethoxy)phenyl]methyl]propane-1,3-diamine
CID 79652388
2-methoxy-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 70831051
4-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]butan-2-ol
CID 111488549
N-cyclopropyl-2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]acetamide
CID 51076389
3-[[methyl-[[4-(trifluoromethoxy)phenyl]methyl]carbamoyl]amino]propanoic acid
CID 122019413
3-[[benzyl(methyl)carbamoyl]amino]-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 56540431
3-hydroxy-3-methyl-1-[4-(trifluoromethoxy)phenyl]butan-2-one
CID 103446073
N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 52569662
2-amino-N-methyl-2-(4-methylphenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 120667234
N-methyl-2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-N-(1-phenylethyl)acetamide
CID 55572578
3-(2-methoxyphenyl)-1-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]urea
CID 55570707

Frequently Asked Questions

What is the IUPAC name of ethane;N-hydroxy-2,2-dimethyl-3-[methyl-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]amino]propanamide?
The IUPAC name of ethane;N-hydroxy-2,2-dimethyl-3-[methyl-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]amino]propanamide (CID 158550488) is ethane;N-hydroxy-2,2-dimethyl-3-[methyl-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]amino]propanamide.
What is the SMILES notation for ethane;N-hydroxy-2,2-dimethyl-3-[methyl-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]amino]propanamide?
The canonical SMILES for ethane;N-hydroxy-2,2-dimethyl-3-[methyl-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]amino]propanamide is CC.CN(Cc1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)CC(C)(C)C(=O)NO.
What is the InChIKey of ethane;N-hydroxy-2,2-dimethyl-3-[methyl-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]amino]propanamide?
The InChIKey is HPQRRMXILJRZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O4.C2H6/c1-19(2,18(26)24-27)13-25(3)12-14-4-6-15(7-5-14)28-16-8-10-17(11-9-16)29-20(21,22)23;1-2/h4-11,27H,12-13H2,1-3H3,(H,24,26);1-2H3.
What are the key properties of ethane;N-hydroxy-2,2-dimethyl-3-[methyl-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]amino]propanamide?
ethane;N-hydroxy-2,2-dimethyl-3-[methyl-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]amino]propanamide has a molecular weight of 442.48 g/mol, XLogP of 5.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-hydroxy-2,2-dimethyl-3-[methyl-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]amino]propanamide is sourced from PubChem (CID 158550488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).