3-amino-N-ethoxy-N-ethyl-3-[3-(trifluoromethyl)phenyl]propanamide

C14H19F3N2O2 — CID 174935648

IUPAC3-amino-N-ethoxy-N-ethyl-3-[3-(trifluoromethyl)phenyl]propanamide
SMILESCCON(CC)C(=O)CC(N)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O2/c1-3-19(21-4-2)13(20)9-12(18)10-6-5-7-11(8-10)14(15,16)17/h5-8,12H,3-4,9,18H2,1-2H3
InChIKeyLEWSXURGGAWHSV-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.90
Rot. Bonds6

About 3-amino-N-ethoxy-N-ethyl-3-[3-(trifluoromethyl)phenyl]propanamide

3-amino-N-ethoxy-N-ethyl-3-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 174935648) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 3-amino-N-ethoxy-N-ethyl-3-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-amino-N-ethoxy-N-ethyl-3-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID174935648
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name3-amino-N-ethoxy-N-ethyl-3-[3-(trifluoromethyl)phenyl]propanamide
SMILESCCON(CC)C(=O)CC(N)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O2/c1-3-19(21-4-2)13(20)9-12(18)10-6-5-7-11(8-10)14(15,16)17/h5-8,12H,3-4,9,18H2,1-2H3
InChIKeyLEWSXURGGAWHSV-UHFFFAOYSA-N
XLogP2.90
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (3R)-3-amino-3-[3-(trifluoromethyl)phenyl]propanoate
CID 29059445
3-amino-N-ethoxy-N-ethyl-3-(3-ethyl-4-fluorophenyl)propanamide
CID 174935651
(1R)-3-methyl-1-[3-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 171206817
ethyl 2-[2-amino-2-[3-(trifluoromethyl)phenyl]ethyl]sulfanylacetate
CID 64612931
(3S)-3-amino-N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]propanamide;methane
CID 160866666
[2-amino-2-[3-(trifluoromethyl)phenyl]ethyl] 2,2,2-trifluoroacetate
CID 87099816
ethyl 2-bromo-2-[3-(trifluoromethyl)phenyl]acetate
CID 12717579
methyl 4-amino-3-[3-(trifluoromethyl)phenyl]hexanoate
CID 66096264
4-amino-3-[3-(trifluoromethyl)phenyl]pentanoic acid
CID 66099186
ethyl (3S)-3-amino-3-[3-[difluoro-(2-methylphenyl)methyl]phenyl]propanoate
CID 140935887
ethyl (3R)-3-amino-3-[3-[difluoro-(2-methylphenyl)methyl]phenyl]propanoate
CID 140935923
3-(diethylamino)-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 64527201

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethoxy-N-ethyl-3-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-amino-N-ethoxy-N-ethyl-3-[3-(trifluoromethyl)phenyl]propanamide (CID 174935648) is 3-amino-N-ethoxy-N-ethyl-3-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-amino-N-ethoxy-N-ethyl-3-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-amino-N-ethoxy-N-ethyl-3-[3-(trifluoromethyl)phenyl]propanamide is CCON(CC)C(=O)CC(N)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-amino-N-ethoxy-N-ethyl-3-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is LEWSXURGGAWHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-3-19(21-4-2)13(20)9-12(18)10-6-5-7-11(8-10)14(15,16)17/h5-8,12H,3-4,9,18H2,1-2H3.
What are the key properties of 3-amino-N-ethoxy-N-ethyl-3-[3-(trifluoromethyl)phenyl]propanamide?
3-amino-N-ethoxy-N-ethyl-3-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 304.31 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethoxy-N-ethyl-3-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 174935648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).