(2S)-2-amino-3,3,3-trifluoro-2-(2-methoxyphenyl)-N-[2-(3-methylphenyl)ethyl]propanamide

C19H21F3N2O2 — CID 97349537

IUPAC(2S)-2-amino-3,3,3-trifluoro-2-(2-methoxyphenyl)-N-[2-(3-methylphenyl)ethyl]propanamide
SMILESCOc1ccccc1[C@](N)(C(=O)NCCc1cccc(C)c1)C(F)(F)F
InChIInChI=1S/C19H21F3N2O2/c1-13-6-5-7-14(12-13)10-11-24-17(25)18(23,19(20,21)22)15-8-3-4-9-16(15)26-2/h3-9,12H,10-11,23H2,1-2H3,(H,24,25)/t18-/m0/s1
InChIKeyWFYMBVZLVCKJLO-SFHVURJKSA-N
MW366.38 g/mol
LogP3.08
Rot. Bonds6

About (2S)-2-amino-3,3,3-trifluoro-2-(2-methoxyphenyl)-N-[2-(3-methylphenyl)ethyl]propanamide

(2S)-2-amino-3,3,3-trifluoro-2-(2-methoxyphenyl)-N-[2-(3-methylphenyl)ethyl]propanamide (PubChem CID 97349537) has the molecular formula C19H21F3N2O2 and a molecular weight of 366.38 g/mol. Its IUPAC name is (2S)-2-amino-3,3,3-trifluoro-2-(2-methoxyphenyl)-N-[2-(3-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3,3,3-trifluoro-2-(2-methoxyphenyl)-N-[2-(3-methylphenyl)ethyl]propanamide
PubChem CID97349537
Molecular FormulaC19H21F3N2O2
Molecular Weight366.38 g/mol
Exact Mass366.16
IUPAC Name(2S)-2-amino-3,3,3-trifluoro-2-(2-methoxyphenyl)-N-[2-(3-methylphenyl)ethyl]propanamide
SMILESCOc1ccccc1[C@](N)(C(=O)NCCc1cccc(C)c1)C(F)(F)F
InChIInChI=1S/C19H21F3N2O2/c1-13-6-5-7-14(12-13)10-11-24-17(25)18(23,19(20,21)22)15-8-3-4-9-16(15)26-2/h3-9,12H,10-11,23H2,1-2H3,(H,24,25)/t18-/m0/s1
InChIKeyWFYMBVZLVCKJLO-SFHVURJKSA-N
XLogP3.08
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyphenoxy)-N-[2-(3-methylphenyl)ethyl]acetamide
CID 110288618
2-(aminomethyl)-2-ethyl-N-[2-(3-methylphenyl)ethyl]butanamide
CID 62312850
(2S)-2-amino-3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]butanamide
CID 62315395
1-(2-methoxyphenyl)-3-[3-(3-methylphenyl)propyl]urea
CID 84518898
3-[2-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]ethyl]benzoic acid
CID 120535496
2,2,3,3,3-pentafluoro-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 584158
1-[(2-tert-butyl-4-methylphenoxy)methyl]-3-[2-(3-methylphenyl)ethyl]urea
CID 108877810
N-[2-(4-fluorophenyl)ethyl]-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide
CID 108961824
N-[2-[3-(benzylamino)-4-methoxyphenyl]ethyl]-2,2,2-trifluoroacetamide
CID 21282392
1-(2-methoxyphenyl)-N-[2-(3-methylphenyl)ethyl]ethanamine
CID 62315352
2-amino-N-[2-(3-methoxyphenyl)ethyl]-2-methylbutanamide
CID 107842874
1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-[(3-methylphenyl)methyl]urea
CID 3705348

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3,3-trifluoro-2-(2-methoxyphenyl)-N-[2-(3-methylphenyl)ethyl]propanamide?
The IUPAC name of (2S)-2-amino-3,3,3-trifluoro-2-(2-methoxyphenyl)-N-[2-(3-methylphenyl)ethyl]propanamide (CID 97349537) is (2S)-2-amino-3,3,3-trifluoro-2-(2-methoxyphenyl)-N-[2-(3-methylphenyl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-amino-3,3,3-trifluoro-2-(2-methoxyphenyl)-N-[2-(3-methylphenyl)ethyl]propanamide?
The canonical SMILES for (2S)-2-amino-3,3,3-trifluoro-2-(2-methoxyphenyl)-N-[2-(3-methylphenyl)ethyl]propanamide is COc1ccccc1[C@](N)(C(=O)NCCc1cccc(C)c1)C(F)(F)F.
What is the InChIKey of (2S)-2-amino-3,3,3-trifluoro-2-(2-methoxyphenyl)-N-[2-(3-methylphenyl)ethyl]propanamide?
The InChIKey is WFYMBVZLVCKJLO-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21F3N2O2/c1-13-6-5-7-14(12-13)10-11-24-17(25)18(23,19(20,21)22)15-8-3-4-9-16(15)26-2/h3-9,12H,10-11,23H2,1-2H3,(H,24,25)/t18-/m0/s1.
What are the key properties of (2S)-2-amino-3,3,3-trifluoro-2-(2-methoxyphenyl)-N-[2-(3-methylphenyl)ethyl]propanamide?
(2S)-2-amino-3,3,3-trifluoro-2-(2-methoxyphenyl)-N-[2-(3-methylphenyl)ethyl]propanamide has a molecular weight of 366.38 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3,3-trifluoro-2-(2-methoxyphenyl)-N-[2-(3-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 97349537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).