N-[[(2R)-4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)-4-(trifluoromethyl)benzamide

C26H33F3N2O4 — CID 92988860

IUPACN-[[(2R)-4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(CN2CCO[C@@H](CN(CC(C)C)C(=O)c3ccc(C(F)(F)F)cc3)C2)c(OC)c1
InChIInChI=1S/C26H33F3N2O4/c1-18(2)14-31(25(32)19-5-8-21(9-6-19)26(27,28)29)17-23-16-30(11-12-35-23)15-20-7-10-22(33-3)13-24(20)34-4/h5-10,13,18,23H,11-12,14-17H2,1-4H3/t23-/m1/s1
InChIKeyDDAFLXFMSUIFIX-HSZRJFAPSA-N
MW494.55 g/mol
LogP4.72
Rot. Bonds9

About N-[[(2R)-4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)-4-(trifluoromethyl)benzamide

N-[[(2R)-4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)-4-(trifluoromethyl)benzamide (PubChem CID 92988860) has the molecular formula C26H33F3N2O4 and a molecular weight of 494.55 g/mol. Its IUPAC name is N-[[(2R)-4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[(2R)-4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)-4-(trifluoromethyl)benzamide
PubChem CID92988860
Molecular FormulaC26H33F3N2O4
Molecular Weight494.55 g/mol
Exact Mass494.24
IUPAC NameN-[[(2R)-4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(CN2CCO[C@@H](CN(CC(C)C)C(=O)c3ccc(C(F)(F)F)cc3)C2)c(OC)c1
InChIInChI=1S/C26H33F3N2O4/c1-18(2)14-31(25(32)19-5-8-21(9-6-19)26(27,28)29)17-23-16-30(11-12-35-23)15-20-7-10-22(33-3)13-24(20)34-4/h5-10,13,18,23H,11-12,14-17H2,1-4H3/t23-/m1/s1
InChIKeyDDAFLXFMSUIFIX-HSZRJFAPSA-N
XLogP4.72
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.55
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 46060121
N-[[4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-3,4-dimethoxy-N-(2-methylpropyl)benzamide
CID 42862035
N-[[4-[(3-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)-4-(trifluoromethyl)benzamide
CID 42862141
N-[[(2R)-4-[(2S)-2-hydroxypropyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methylpropyl)benzamide
CID 100543008
N-[[4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-3-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 46060357
N-[[(2S)-4-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide
CID 92989390
N-[[(2R)-4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]-N-(3-methylbutyl)benzamide
CID 92988428
(2S)-2-benzyl-4-[(2,4-dimethoxyphenyl)methyl]morpholine
CID 29024699
N-[[(2R)-4-[(2R)-2-hydroxy-3-phenoxypropyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide
CID 99729951
N-[[(2R)-4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide
CID 99731545
N-[2-(dimethylamino)ethyl]-4-fluoro-N-[[4-[(4-methoxyphenyl)methyl]morpholin-2-yl]methyl]benzamide
CID 42862510
4-fluoro-N-[[(2S)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
CID 92984239

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[[(2R)-4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)-4-(trifluoromethyl)benzamide (CID 92988860) is N-[[(2R)-4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[(2R)-4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[(2R)-4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)-4-(trifluoromethyl)benzamide is COc1ccc(CN2CCO[C@@H](CN(CC(C)C)C(=O)c3ccc(C(F)(F)F)cc3)C2)c(OC)c1.
What is the InChIKey of N-[[(2R)-4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)-4-(trifluoromethyl)benzamide?
The InChIKey is DDAFLXFMSUIFIX-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H33F3N2O4/c1-18(2)14-31(25(32)19-5-8-21(9-6-19)26(27,28)29)17-23-16-30(11-12-35-23)15-20-7-10-22(33-3)13-24(20)34-4/h5-10,13,18,23H,11-12,14-17H2,1-4H3/t23-/m1/s1.
What are the key properties of N-[[(2R)-4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)-4-(trifluoromethyl)benzamide?
N-[[(2R)-4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)-4-(trifluoromethyl)benzamide has a molecular weight of 494.55 g/mol, XLogP of 4.72, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 92988860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).