(3S)-3-amino-N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]propanamide;methane

C14H21F3N2O2 — CID 160866666

IUPAC(3S)-3-amino-N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]propanamide;methane
SMILESC.COCCNC(=O)C[C@H](N)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O2.CH4/c1-20-6-5-18-12(19)8-11(17)9-3-2-4-10(7-9)13(14,15)16;/h2-4,7,11H,5-6,8,17H2,1H3,(H,18,19);1H4/t11-;/m0./s1
InChIKeySLEXQTHWNIVYMN-MERQFXBCSA-N
MW306.33 g/mol
LogP2.49
Rot. Bonds6

About (3S)-3-amino-N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]propanamide;methane

(3S)-3-amino-N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]propanamide;methane (PubChem CID 160866666) has the molecular formula C14H21F3N2O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is (3S)-3-amino-N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]propanamide;methane.

Molecular Properties

Compound Name(3S)-3-amino-N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]propanamide;methane
PubChem CID160866666
Molecular FormulaC14H21F3N2O2
Molecular Weight306.33 g/mol
Exact Mass306.16
IUPAC Name(3S)-3-amino-N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]propanamide;methane
SMILESC.COCCNC(=O)C[C@H](N)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O2.CH4/c1-20-6-5-18-12(19)8-11(17)9-3-2-4-10(7-9)13(14,15)16;/h2-4,7,11H,5-6,8,17H2,1H3,(H,18,19);1H4/t11-;/m0./s1
InChIKeySLEXQTHWNIVYMN-MERQFXBCSA-N
XLogP2.49
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl (3R)-3-amino-3-[3-(trifluoromethyl)phenyl]propanoate
CID 29059445
N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 17217262
N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833709
2-(2-methoxyethylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 62541567
N-(2-methoxyethyl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 42782144
2-(2-methoxyethylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 78913899
3-amino-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride
CID 119948966
N-(3-aminopropyl)-3-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119405227
N-(2-methoxyethyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
CID 115592418
(1R)-3-methyl-1-[3-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 171206817
N-(2-methoxyethyl)-3,3-diphenylpropanamide
CID 2263132
N-(2-methoxyethyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-3-[3-(trifluoromethyl)phenyl]propanamide
CID 83287622

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]propanamide;methane?
The IUPAC name of (3S)-3-amino-N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]propanamide;methane (CID 160866666) is (3S)-3-amino-N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]propanamide;methane.
What is the SMILES notation for (3S)-3-amino-N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]propanamide;methane?
The canonical SMILES for (3S)-3-amino-N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]propanamide;methane is C.COCCNC(=O)C[C@H](N)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (3S)-3-amino-N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]propanamide;methane?
The InChIKey is SLEXQTHWNIVYMN-MERQFXBCSA-N. The full InChI is InChI=1S/C13H17F3N2O2.CH4/c1-20-6-5-18-12(19)8-11(17)9-3-2-4-10(7-9)13(14,15)16;/h2-4,7,11H,5-6,8,17H2,1H3,(H,18,19);1H4/t11-;/m0./s1.
What are the key properties of (3S)-3-amino-N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]propanamide;methane?
(3S)-3-amino-N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]propanamide;methane has a molecular weight of 306.33 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]propanamide;methane is sourced from PubChem (CID 160866666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).