(2S)-2-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-4-methylpentanamide

C15H23FN2O2 — CID 119777546

IUPAC(2S)-2-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-4-methylpentanamide
SMILESCOCc1cc(CNC(=O)[C@@H](N)CC(C)C)ccc1F
InChIInChI=1S/C15H23FN2O2/c1-10(2)6-14(17)15(19)18-8-11-4-5-13(16)12(7-11)9-20-3/h4-5,7,10,14H,6,8-9,17H2,1-3H3,(H,18,19)/t14-/m0/s1
InChIKeySJKMMRGNMAPPGH-AWEZNQCLSA-N
MW282.36 g/mol
LogP1.96
Rot. Bonds7

About (2S)-2-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-4-methylpentanamide

(2S)-2-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-4-methylpentanamide (PubChem CID 119777546) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is (2S)-2-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-4-methylpentanamide
PubChem CID119777546
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name(2S)-2-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-4-methylpentanamide
SMILESCOCc1cc(CNC(=O)[C@@H](N)CC(C)C)ccc1F
InChIInChI=1S/C15H23FN2O2/c1-10(2)6-14(17)15(19)18-8-11-4-5-13(16)12(7-11)9-20-3/h4-5,7,10,14H,6,8-9,17H2,1-3H3,(H,18,19)/t14-/m0/s1
InChIKeySJKMMRGNMAPPGH-AWEZNQCLSA-N
XLogP1.96
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-3-methylbutanamide;hydrochloride
CID 119320080
(2S)-2-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-4-methylsulfanylbutanamide
CID 119320067
4-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]butanamide
CID 119320083
(2S)-2-amino-N-[(4-chloro-2-fluorophenyl)methyl]-4-methylpentanamide
CID 110482526
N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-2-(methylamino)acetamide
CID 119777512
2-amino-N-[(3-methoxyphenyl)methyl]-4-methylpentanamide
CID 60873373
(2S)-2-amino-N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-methylpentanamide
CID 119723292
1-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-3-(2-hydroxy-2,3-dimethylpentyl)urea
CID 111121249
2-amino-N-[(4-bromophenyl)methyl]-4-methylpentanamide
CID 60731482
1-(cyclopropylmethyl)-3-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]urea
CID 122134358
2-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-1-(2-methylpropyl)guanidine
CID 111805056
(2R)-2-amino-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide
CID 103630266

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-4-methylpentanamide (CID 119777546) is (2S)-2-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-4-methylpentanamide is COCc1cc(CNC(=O)[C@@H](N)CC(C)C)ccc1F.
What is the InChIKey of (2S)-2-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-4-methylpentanamide?
The InChIKey is SJKMMRGNMAPPGH-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-10(2)6-14(17)15(19)18-8-11-4-5-13(16)12(7-11)9-20-3/h4-5,7,10,14H,6,8-9,17H2,1-3H3,(H,18,19)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-4-methylpentanamide?
(2S)-2-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-4-methylpentanamide has a molecular weight of 282.36 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-4-methylpentanamide is sourced from PubChem (CID 119777546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).