N-(3-methylbutan-2-yl)-2-(2-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide

C16H22F3NO2 — CID 86895863

IUPACN-(3-methylbutan-2-yl)-2-(2-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1ccccc1OCC(=O)N(CC(F)(F)F)C(C)C(C)C
InChIInChI=1S/C16H22F3NO2/c1-11(2)13(4)20(10-16(17,18)19)15(21)9-22-14-8-6-5-7-12(14)3/h5-8,11,13H,9-10H2,1-4H3
InChIKeyKVUYAZYJEFJBFF-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.81
Rot. Bonds6

About N-(3-methylbutan-2-yl)-2-(2-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide

N-(3-methylbutan-2-yl)-2-(2-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 86895863) has the molecular formula C16H22F3NO2 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-2-(2-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-2-(2-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID86895863
Molecular FormulaC16H22F3NO2
Molecular Weight317.35 g/mol
Exact Mass317.16
IUPAC NameN-(3-methylbutan-2-yl)-2-(2-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1ccccc1OCC(=O)N(CC(F)(F)F)C(C)C(C)C
InChIInChI=1S/C16H22F3NO2/c1-11(2)13(4)20(10-16(17,18)19)15(21)9-22-14-8-6-5-7-12(14)3/h5-8,11,13H,9-10H2,1-4H3
InChIKeyKVUYAZYJEFJBFF-UHFFFAOYSA-N
XLogP3.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(3-methylbutan-2-yl)-2-(2-methylphenoxy)-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

2-(2-aminophenoxy)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 61109635
N-(2-hydroxypropyl)-N-methyl-2-(2-methylphenoxy)acetamide
CID 62333062
ethyl 2-[[2-(2-methylphenoxy)acetyl]-propan-2-ylamino]acetate
CID 61022066
(2R)-2-[benzyl-[2-(2-methylphenoxy)acetyl]amino]-N-methylpropanamide
CID 100561244
N-[(2S)-3-methylbutan-2-yl]-2-(6-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 95967296
2-[[2-(2-fluorophenoxy)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265053
N-methyl-2-(2-methylphenoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 134047158
(2-ethoxy-2-oxoethyl) 2-(2-methylphenoxy)acetate
CID 177256243
N-[(2S)-3-methylbutan-2-yl]-2-(2-methylphenoxy)acetamide
CID 94223613
(2R)-2-[(2-fluorophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide
CID 100719141
2-[(2-fluorophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-N-propylpropanamide
CID 132762880
(2R)-2-[[2-(2-methylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide
CID 100734100

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-2-(2-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(3-methylbutan-2-yl)-2-(2-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide (CID 86895863) is N-(3-methylbutan-2-yl)-2-(2-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)-2-(2-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(3-methylbutan-2-yl)-2-(2-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide is Cc1ccccc1OCC(=O)N(CC(F)(F)F)C(C)C(C)C.
What is the InChIKey of N-(3-methylbutan-2-yl)-2-(2-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is KVUYAZYJEFJBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO2/c1-11(2)13(4)20(10-16(17,18)19)15(21)9-22-14-8-6-5-7-12(14)3/h5-8,11,13H,9-10H2,1-4H3.
What are the key properties of N-(3-methylbutan-2-yl)-2-(2-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
N-(3-methylbutan-2-yl)-2-(2-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 317.35 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-2-(2-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 86895863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).