(2S)-N-methyl-3-phenylmethoxy-2-[[2-[3-(3,3,3-trifluoropropyl)phenyl]acetyl]amino]propanamide

C22H25F3N2O3 — CID 70900925

IUPAC(2S)-N-methyl-3-phenylmethoxy-2-[[2-[3-(3,3,3-trifluoropropyl)phenyl]acetyl]amino]propanamide
SMILESCNC(=O)[C@H](COCc1ccccc1)NC(=O)Cc1cccc(CCC(F)(F)F)c1
InChIInChI=1S/C22H25F3N2O3/c1-26-21(29)19(15-30-14-17-6-3-2-4-7-17)27-20(28)13-18-9-5-8-16(12-18)10-11-22(23,24)25/h2-9,12,19H,10-11,13-15H2,1H3,(H,26,29)(H,27,28)/t19-/m0/s1
InChIKeyZFKZVMISXRITRC-IBGZPJMESA-N
MW422.45 g/mol
LogP3.17
Rot. Bonds10

About (2S)-N-methyl-3-phenylmethoxy-2-[[2-[3-(3,3,3-trifluoropropyl)phenyl]acetyl]amino]propanamide

(2S)-N-methyl-3-phenylmethoxy-2-[[2-[3-(3,3,3-trifluoropropyl)phenyl]acetyl]amino]propanamide (PubChem CID 70900925) has the molecular formula C22H25F3N2O3 and a molecular weight of 422.45 g/mol. Its IUPAC name is (2S)-N-methyl-3-phenylmethoxy-2-[[2-[3-(3,3,3-trifluoropropyl)phenyl]acetyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-methyl-3-phenylmethoxy-2-[[2-[3-(3,3,3-trifluoropropyl)phenyl]acetyl]amino]propanamide
PubChem CID70900925
Molecular FormulaC22H25F3N2O3
Molecular Weight422.45 g/mol
Exact Mass422.18
IUPAC Name(2S)-N-methyl-3-phenylmethoxy-2-[[2-[3-(3,3,3-trifluoropropyl)phenyl]acetyl]amino]propanamide
SMILESCNC(=O)[C@H](COCc1ccccc1)NC(=O)Cc1cccc(CCC(F)(F)F)c1
InChIInChI=1S/C22H25F3N2O3/c1-26-21(29)19(15-30-14-17-6-3-2-4-7-17)27-20(28)13-18-9-5-8-16(12-18)10-11-22(23,24)25/h2-9,12,19H,10-11,13-15H2,1H3,(H,26,29)(H,27,28)/t19-/m0/s1
InChIKeyZFKZVMISXRITRC-IBGZPJMESA-N
XLogP3.17
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[1-(methylamino)-1-oxo-3-phenylmethoxypropan-2-yl]propanamide
CID 171594170
2-[[2-(3-chlorophenyl)acetyl]amino]-N-(4-phenoxyphenyl)-3-phenylmethoxypropanamide
CID 67009628
2-[[2-(3-bromophenyl)acetyl]amino]-N-[4-(4-fluorophenoxy)phenyl]-3-phenylmethoxypropanamide
CID 67009157
methyl 2-(2-methylpropanoylamino)-3-phenylmethoxypropanoate
CID 23559272
N-[4-[4-(4-fluorophenoxy)phenyl]-3-oxo-1-phenylmethoxybutan-2-yl]-2-[2-fluoro-3-(trifluoromethyl)phenyl]acetamide
CID 58523220
(2S)-N-[4-(4-fluorophenoxy)phenyl]-3-phenylmethoxy-2-[(2-pyridin-3-ylacetyl)amino]propanamide
CID 67010683
2-acetamido-3-phenylmethoxy-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]propanamide
CID 78166694
(2R)-2-(2,2-dimethylpropanoylamino)-3-phenylmethoxypropanoic acid
CID 59970231
(2S)-2-[[2-(1H-indol-4-yl)acetyl]amino]-N-(4-phenoxyphenyl)-3-phenylmethoxypropanamide
CID 67009152
[2-oxo-2-[[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]amino]ethyl] acetate
CID 70641269
2-[(2-chloroacetyl)amino]-N-[4-(4-fluorophenoxy)phenyl]-3-phenylmethoxypropanamide
CID 67010267
3-methyl-N-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]pentanamide
CID 70641288

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-3-phenylmethoxy-2-[[2-[3-(3,3,3-trifluoropropyl)phenyl]acetyl]amino]propanamide?
The IUPAC name of (2S)-N-methyl-3-phenylmethoxy-2-[[2-[3-(3,3,3-trifluoropropyl)phenyl]acetyl]amino]propanamide (CID 70900925) is (2S)-N-methyl-3-phenylmethoxy-2-[[2-[3-(3,3,3-trifluoropropyl)phenyl]acetyl]amino]propanamide.
What is the SMILES notation for (2S)-N-methyl-3-phenylmethoxy-2-[[2-[3-(3,3,3-trifluoropropyl)phenyl]acetyl]amino]propanamide?
The canonical SMILES for (2S)-N-methyl-3-phenylmethoxy-2-[[2-[3-(3,3,3-trifluoropropyl)phenyl]acetyl]amino]propanamide is CNC(=O)[C@H](COCc1ccccc1)NC(=O)Cc1cccc(CCC(F)(F)F)c1.
What is the InChIKey of (2S)-N-methyl-3-phenylmethoxy-2-[[2-[3-(3,3,3-trifluoropropyl)phenyl]acetyl]amino]propanamide?
The InChIKey is ZFKZVMISXRITRC-IBGZPJMESA-N. The full InChI is InChI=1S/C22H25F3N2O3/c1-26-21(29)19(15-30-14-17-6-3-2-4-7-17)27-20(28)13-18-9-5-8-16(12-18)10-11-22(23,24)25/h2-9,12,19H,10-11,13-15H2,1H3,(H,26,29)(H,27,28)/t19-/m0/s1.
What are the key properties of (2S)-N-methyl-3-phenylmethoxy-2-[[2-[3-(3,3,3-trifluoropropyl)phenyl]acetyl]amino]propanamide?
(2S)-N-methyl-3-phenylmethoxy-2-[[2-[3-(3,3,3-trifluoropropyl)phenyl]acetyl]amino]propanamide has a molecular weight of 422.45 g/mol, XLogP of 3.17, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-3-phenylmethoxy-2-[[2-[3-(3,3,3-trifluoropropyl)phenyl]acetyl]amino]propanamide is sourced from PubChem (CID 70900925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).