2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-methoxypropanamide

C14H21FN2O2 — CID 120990280

IUPAC2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NCC(C)(C)c1cccc(F)c1
InChIInChI=1S/C14H21FN2O2/c1-14(2,10-5-4-6-11(15)7-10)9-17-13(18)12(16)8-19-3/h4-7,12H,8-9,16H2,1-3H3,(H,17,18)
InChIKeyHUOLNEAYOQSQAR-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.19
Rot. Bonds6

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

2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-methoxypropanamide (PubChem CID 120990280) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-methoxypropanamide
PubChem CID120990280
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NCC(C)(C)c1cccc(F)c1
InChIInChI=1S/C14H21FN2O2/c1-14(2,10-5-4-6-11(15)7-10)9-17-13(18)12(16)8-19-3/h4-7,12H,8-9,16H2,1-3H3,(H,17,18)
InChIKeyHUOLNEAYOQSQAR-UHFFFAOYSA-N
XLogP1.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-4-methylpentanamide;hydrochloride
CID 119796151
2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-methoxypropanamide
CID 120988537
2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbutanamide;hydrochloride
CID 119957543
(2S)-2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-phenylpropanamide
CID 119330600
3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]butanamide
CID 115154464
[2-(3-fluorophenyl)-2-methylpropyl]urea
CID 115168840
2-amino-2-(2-fluorophenyl)-N-[2-(3-fluorophenyl)-2-methylpropyl]acetamide
CID 166261259
2-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-3-methoxypropanamide;hydrochloride
CID 120986999
2-amino-N-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]-3-methoxypropanamide
CID 120991102
3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-phenylpropanamide;hydrochloride
CID 119951826
2-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-methoxypropanamide
CID 120987990
N-[2-(3-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)butanamide
CID 115186794

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-methoxypropanamide?
The IUPAC name of 2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-methoxypropanamide (CID 120990280) is 2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-methoxypropanamide is COCC(N)C(=O)NCC(C)(C)c1cccc(F)c1.
What is the InChIKey of 2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-methoxypropanamide?
The InChIKey is HUOLNEAYOQSQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-14(2,10-5-4-6-11(15)7-10)9-17-13(18)12(16)8-19-3/h4-7,12H,8-9,16H2,1-3H3,(H,17,18).
What are the key properties of 2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-methoxypropanamide?
2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-methoxypropanamide has a molecular weight of 268.33 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-methoxypropanamide is sourced from PubChem (CID 120990280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).