(2S)-2-amino-N-(2-fluoro-4-propan-2-yloxyphenyl)propanamide

C12H17FN2O2 — CID 119308643

IUPAC(2S)-2-amino-N-(2-fluoro-4-propan-2-yloxyphenyl)propanamide
SMILESCC(C)Oc1ccc(NC(=O)[C@H](C)N)c(F)c1
InChIInChI=1S/C12H17FN2O2/c1-7(2)17-9-4-5-11(10(13)6-9)15-12(16)8(3)14/h4-8H,14H2,1-3H3,(H,15,16)/t8-/m0/s1
InChIKeyUVJAKMBUPRUASR-QMMMGPOBSA-N
MW240.28 g/mol
LogP1.90
Rot. Bonds4

About (2S)-2-amino-N-(2-fluoro-4-propan-2-yloxyphenyl)propanamide

(2S)-2-amino-N-(2-fluoro-4-propan-2-yloxyphenyl)propanamide (PubChem CID 119308643) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-fluoro-4-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-fluoro-4-propan-2-yloxyphenyl)propanamide
PubChem CID119308643
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name(2S)-2-amino-N-(2-fluoro-4-propan-2-yloxyphenyl)propanamide
SMILESCC(C)Oc1ccc(NC(=O)[C@H](C)N)c(F)c1
InChIInChI=1S/C12H17FN2O2/c1-7(2)17-9-4-5-11(10(13)6-9)15-12(16)8(3)14/h4-8H,14H2,1-3H3,(H,15,16)/t8-/m0/s1
InChIKeyUVJAKMBUPRUASR-QMMMGPOBSA-N
XLogP1.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(2-methyl-4-propan-2-yloxyphenyl)propanamide
CID 92930680
2-amino-N-(2-fluoro-4-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119308646
2-amino-N-(4-bromo-2-fluorophenyl)propanamide
CID 24708230
(2S)-2-amino-N-(2,4,5-trifluorophenyl)propanamide
CID 62816267
(2R)-N-tert-butyl-2-[(2-fluoro-4-propan-2-yloxyphenyl)carbamoylamino]propanamide
CID 95300771
2-amino-N-(2-fluorophenyl)propanamide
CID 24707617
2-amino-N-(2-fluoro-4-propan-2-yloxyphenyl)-2-methylpentanamide
CID 119757908
2-amino-N-(2-fluorophenyl)propanamide;hydrochloride
CID 75973817
3-[(2-fluoro-4-propan-2-yloxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122078377
N-(2-fluoro-4-propan-2-yloxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119308648
N-(2-fluoro-4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 119757906
(2R)-N-(4-bromo-2-fluorophenyl)-2-(3,4-difluorophenoxy)propanamide
CID 8578082

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-fluoro-4-propan-2-yloxyphenyl)propanamide?
The IUPAC name of (2S)-2-amino-N-(2-fluoro-4-propan-2-yloxyphenyl)propanamide (CID 119308643) is (2S)-2-amino-N-(2-fluoro-4-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-fluoro-4-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(2-fluoro-4-propan-2-yloxyphenyl)propanamide is CC(C)Oc1ccc(NC(=O)[C@H](C)N)c(F)c1.
What is the InChIKey of (2S)-2-amino-N-(2-fluoro-4-propan-2-yloxyphenyl)propanamide?
The InChIKey is UVJAKMBUPRUASR-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-7(2)17-9-4-5-11(10(13)6-9)15-12(16)8(3)14/h4-8H,14H2,1-3H3,(H,15,16)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-fluoro-4-propan-2-yloxyphenyl)propanamide?
(2S)-2-amino-N-(2-fluoro-4-propan-2-yloxyphenyl)propanamide has a molecular weight of 240.28 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-fluoro-4-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 119308643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).