(2S)-N-(4,5-dimethoxy-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide

C14H18F3NO4 — CID 38910693

IUPAC(2S)-N-(4,5-dimethoxy-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCOc1cc(C)c(NC(=O)[C@H](C)OCC(F)(F)F)cc1OC
InChIInChI=1S/C14H18F3NO4/c1-8-5-11(20-3)12(21-4)6-10(8)18-13(19)9(2)22-7-14(15,16)17/h5-6,9H,7H2,1-4H3,(H,18,19)/t9-/m0/s1
InChIKeyHWDAKIHJAWNODP-VIFPVBQESA-N
MW321.30 g/mol
LogP2.92
Rot. Bonds6

About (2S)-N-(4,5-dimethoxy-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide

(2S)-N-(4,5-dimethoxy-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 38910693) has the molecular formula C14H18F3NO4 and a molecular weight of 321.30 g/mol. Its IUPAC name is (2S)-N-(4,5-dimethoxy-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(4,5-dimethoxy-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID38910693
Molecular FormulaC14H18F3NO4
Molecular Weight321.30 g/mol
Exact Mass321.12
IUPAC Name(2S)-N-(4,5-dimethoxy-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCOc1cc(C)c(NC(=O)[C@H](C)OCC(F)(F)F)cc1OC
InChIInChI=1S/C14H18F3NO4/c1-8-5-11(20-3)12(21-4)6-10(8)18-13(19)9(2)22-7-14(15,16)17/h5-6,9H,7H2,1-4H3,(H,18,19)/t9-/m0/s1
InChIKeyHWDAKIHJAWNODP-VIFPVBQESA-N
XLogP2.92
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 38900928
(2R)-2-amino-N-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 54996224
(2S)-N-(4,5-dimethoxy-2-methylphenyl)-2-(4-fluorophenoxy)propanamide
CID 7751068
(2S)-2-amino-N-(4,5-dimethoxy-2-methylphenyl)butanamide
CID 79024477
N-(2-amino-5-chlorophenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 16794251
3-amino-4-(4,5-dimethoxy-2-methylanilino)-4-oxobutanoic acid
CID 64895496
(2R)-2-(2-bromo-4-methylphenoxy)-N-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 51958225
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 43077525
(4,5-dimethoxy-2-methylphenyl)urea
CID 82492626
N-(2-carbamothioylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 43105337
(2R)-N-(4-acetamido-3-chlorophenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 38938244
2-[(4,5-dimethoxy-2-methylphenyl)carbamoylamino]acetic acid
CID 82501882

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4,5-dimethoxy-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of (2S)-N-(4,5-dimethoxy-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide (CID 38910693) is (2S)-N-(4,5-dimethoxy-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for (2S)-N-(4,5-dimethoxy-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for (2S)-N-(4,5-dimethoxy-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide is COc1cc(C)c(NC(=O)[C@H](C)OCC(F)(F)F)cc1OC.
What is the InChIKey of (2S)-N-(4,5-dimethoxy-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is HWDAKIHJAWNODP-VIFPVBQESA-N. The full InChI is InChI=1S/C14H18F3NO4/c1-8-5-11(20-3)12(21-4)6-10(8)18-13(19)9(2)22-7-14(15,16)17/h5-6,9H,7H2,1-4H3,(H,18,19)/t9-/m0/s1.
What are the key properties of (2S)-N-(4,5-dimethoxy-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide?
(2S)-N-(4,5-dimethoxy-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 321.30 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4,5-dimethoxy-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 38910693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).