(2S)-N-[(4-methoxyphenyl)methyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide

C20H23F3N2O2 — CID 8595558

IUPAC(2S)-N-[(4-methoxyphenyl)methyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide
SMILESCOc1ccc(CNC(=O)[C@H](C)N(C)Cc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H23F3N2O2/c1-14(19(26)24-12-15-6-10-18(27-3)11-7-15)25(2)13-16-4-8-17(9-5-16)20(21,22)23/h4-11,14H,12-13H2,1-3H3,(H,24,26)/t14-/m0/s1
InChIKeyFUJKMQJUKFXUBH-AWEZNQCLSA-N
MW380.41 g/mol
LogP3.85
Rot. Bonds7

About (2S)-N-[(4-methoxyphenyl)methyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide

(2S)-N-[(4-methoxyphenyl)methyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide (PubChem CID 8595558) has the molecular formula C20H23F3N2O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is (2S)-N-[(4-methoxyphenyl)methyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-[(4-methoxyphenyl)methyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide
PubChem CID8595558
Molecular FormulaC20H23F3N2O2
Molecular Weight380.41 g/mol
Exact Mass380.17
IUPAC Name(2S)-N-[(4-methoxyphenyl)methyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide
SMILESCOc1ccc(CNC(=O)[C@H](C)N(C)Cc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H23F3N2O2/c1-14(19(26)24-12-15-6-10-18(27-3)11-7-15)25(2)13-16-4-8-17(9-5-16)20(21,22)23/h4-11,14H,12-13H2,1-3H3,(H,24,26)/t14-/m0/s1
InChIKeyFUJKMQJUKFXUBH-AWEZNQCLSA-N
XLogP3.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(4-fluorophenyl)methyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]propanamide
CID 41375901
N-(2,5-dimethoxyphenyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide
CID 51171449
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium
CID 8595557
(2R)-2-[(2-chlorophenyl)methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 8541611
(2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 9494892
2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 133212989
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 17478899
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-[(3-methoxyphenyl)methyl]propanamide
CID 134038490
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 42911485
2-(4-methoxyphenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 78771326
(2S)-2-hydroxy-N-[(4-methoxyphenyl)methyl]propanamide
CID 175748311
N-cyclopentyl-2-[(4-methoxyphenyl)methyl-methylamino]propanamide
CID 46614381

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-methoxyphenyl)methyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide?
The IUPAC name of (2S)-N-[(4-methoxyphenyl)methyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide (CID 8595558) is (2S)-N-[(4-methoxyphenyl)methyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide.
What is the SMILES notation for (2S)-N-[(4-methoxyphenyl)methyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide?
The canonical SMILES for (2S)-N-[(4-methoxyphenyl)methyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide is COc1ccc(CNC(=O)[C@H](C)N(C)Cc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of (2S)-N-[(4-methoxyphenyl)methyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide?
The InChIKey is FUJKMQJUKFXUBH-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H23F3N2O2/c1-14(19(26)24-12-15-6-10-18(27-3)11-7-15)25(2)13-16-4-8-17(9-5-16)20(21,22)23/h4-11,14H,12-13H2,1-3H3,(H,24,26)/t14-/m0/s1.
What are the key properties of (2S)-N-[(4-methoxyphenyl)methyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide?
(2S)-N-[(4-methoxyphenyl)methyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide has a molecular weight of 380.41 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-methoxyphenyl)methyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide is sourced from PubChem (CID 8595558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).