3-amino-N-ethyl-N-[(3-fluorophenyl)methyl]-2-methoxypropanamide

C13H19FN2O2 — CID 106111947

IUPAC3-amino-N-ethyl-N-[(3-fluorophenyl)methyl]-2-methoxypropanamide
SMILESCCN(Cc1cccc(F)c1)C(=O)C(CN)OC
InChIInChI=1S/C13H19FN2O2/c1-3-16(13(17)12(8-15)18-2)9-10-5-4-6-11(14)7-10/h4-7,12H,3,8-9,15H2,1-2H3
InChIKeyRJYIYSCLHZIIPI-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.15
Rot. Bonds6

About 3-amino-N-ethyl-N-[(3-fluorophenyl)methyl]-2-methoxypropanamide

3-amino-N-ethyl-N-[(3-fluorophenyl)methyl]-2-methoxypropanamide (PubChem CID 106111947) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 3-amino-N-ethyl-N-[(3-fluorophenyl)methyl]-2-methoxypropanamide.

Molecular Properties

Compound Name3-amino-N-ethyl-N-[(3-fluorophenyl)methyl]-2-methoxypropanamide
PubChem CID106111947
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name3-amino-N-ethyl-N-[(3-fluorophenyl)methyl]-2-methoxypropanamide
SMILESCCN(Cc1cccc(F)c1)C(=O)C(CN)OC
InChIInChI=1S/C13H19FN2O2/c1-3-16(13(17)12(8-15)18-2)9-10-5-4-6-11(14)7-10/h4-7,12H,3,8-9,15H2,1-2H3
InChIKeyRJYIYSCLHZIIPI-UHFFFAOYSA-N
XLogP1.15
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-ethyl-N-[(3-fluorophenyl)methyl]-2-methoxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[(3-fluorophenyl)methyl]-2-methoxy-N-methylpropanamide
CID 106111202
(2R)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]propanamide
CID 78973383
(2S)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]-3-methylpentanamide
CID 61173559
N-ethyl-N-[(3-fluorophenyl)methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119690197
2-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 9317159
3-amino-N-ethyl-2-methoxy-N-[(6-methyl-2-pyridinyl)methyl]propanamide
CID 114145142
phenyl N-ethyl-N-[(3-fluorophenyl)methyl]carbamate
CID 60655409
N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide
CID 78800954
1-(aminomethyl)-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopentane-1-carboxamide
CID 81489842
2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 55036056
2-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide
CID 60655580
(E)-4-[ethyl-[(3-fluorophenyl)methyl]amino]-4-oxobut-2-enoic acid
CID 54874794

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-N-[(3-fluorophenyl)methyl]-2-methoxypropanamide?
The IUPAC name of 3-amino-N-ethyl-N-[(3-fluorophenyl)methyl]-2-methoxypropanamide (CID 106111947) is 3-amino-N-ethyl-N-[(3-fluorophenyl)methyl]-2-methoxypropanamide.
What is the SMILES notation for 3-amino-N-ethyl-N-[(3-fluorophenyl)methyl]-2-methoxypropanamide?
The canonical SMILES for 3-amino-N-ethyl-N-[(3-fluorophenyl)methyl]-2-methoxypropanamide is CCN(Cc1cccc(F)c1)C(=O)C(CN)OC.
What is the InChIKey of 3-amino-N-ethyl-N-[(3-fluorophenyl)methyl]-2-methoxypropanamide?
The InChIKey is RJYIYSCLHZIIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-3-16(13(17)12(8-15)18-2)9-10-5-4-6-11(14)7-10/h4-7,12H,3,8-9,15H2,1-2H3.
What are the key properties of 3-amino-N-ethyl-N-[(3-fluorophenyl)methyl]-2-methoxypropanamide?
3-amino-N-ethyl-N-[(3-fluorophenyl)methyl]-2-methoxypropanamide has a molecular weight of 254.30 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-N-[(3-fluorophenyl)methyl]-2-methoxypropanamide is sourced from PubChem (CID 106111947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).