N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[2-methyl-4-(trifluoromethyl)phenoxy]acetamide

C19H27F3N2O3 — CID 100672511

IUPACN-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[2-methyl-4-(trifluoromethyl)phenoxy]acetamide
SMILESCc1cc(C(F)(F)F)ccc1OCC(=O)NC[C@H]1CN(CC(C)C)CCO1
InChIInChI=1S/C19H27F3N2O3/c1-13(2)10-24-6-7-26-16(11-24)9-23-18(25)12-27-17-5-4-15(8-14(17)3)19(20,21)22/h4-5,8,13,16H,6-7,9-12H2,1-3H3,(H,23,25)/t16-/m0/s1
InChIKeyGUUGYZRORKWIFR-INIZCTEOSA-N
MW388.43 g/mol
LogP2.87
Rot. Bonds7

About N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[2-methyl-4-(trifluoromethyl)phenoxy]acetamide

N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[2-methyl-4-(trifluoromethyl)phenoxy]acetamide (PubChem CID 100672511) has the molecular formula C19H27F3N2O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[2-methyl-4-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[2-methyl-4-(trifluoromethyl)phenoxy]acetamide
PubChem CID100672511
Molecular FormulaC19H27F3N2O3
Molecular Weight388.43 g/mol
Exact Mass388.20
IUPAC NameN-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[2-methyl-4-(trifluoromethyl)phenoxy]acetamide
SMILESCc1cc(C(F)(F)F)ccc1OCC(=O)NC[C@H]1CN(CC(C)C)CCO1
InChIInChI=1S/C19H27F3N2O3/c1-13(2)10-24-6-7-26-16(11-24)9-23-18(25)12-27-17-5-4-15(8-14(17)3)19(20,21)22/h4-5,8,13,16H,6-7,9-12H2,1-3H3,(H,23,25)/t16-/m0/s1
InChIKeyGUUGYZRORKWIFR-INIZCTEOSA-N
XLogP2.87
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-methyl-2-propan-2-ylphenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 46684442
2-(3-methylphenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 46684440
2-(2,6-dibromophenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 60594057
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 55409622
2-(4-cyanophenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 51214759
3-(4-tert-butylphenyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide
CID 35363430
2-(4-benzoylphenoxy)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 8511173
3-(4-methylphenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide
CID 134032540
2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 55602923
(2S)-2-(diethylamino)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 95769157
2-(3,4-difluorophenyl)sulfanyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 51216467
5-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 43051952

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[2-methyl-4-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[2-methyl-4-(trifluoromethyl)phenoxy]acetamide (CID 100672511) is N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[2-methyl-4-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[2-methyl-4-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[2-methyl-4-(trifluoromethyl)phenoxy]acetamide is Cc1cc(C(F)(F)F)ccc1OCC(=O)NC[C@H]1CN(CC(C)C)CCO1.
What is the InChIKey of N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[2-methyl-4-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is GUUGYZRORKWIFR-INIZCTEOSA-N. The full InChI is InChI=1S/C19H27F3N2O3/c1-13(2)10-24-6-7-26-16(11-24)9-23-18(25)12-27-17-5-4-15(8-14(17)3)19(20,21)22/h4-5,8,13,16H,6-7,9-12H2,1-3H3,(H,23,25)/t16-/m0/s1.
What are the key properties of N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[2-methyl-4-(trifluoromethyl)phenoxy]acetamide?
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[2-methyl-4-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 388.43 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[2-methyl-4-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 100672511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).