N-[(2S)-1-[[2-(2-fluorophenoxy)acetyl]amino]propan-2-yl]-2-hydroxypentanamide

C16H23FN2O4 — CID 155963538

IUPACN-[(2S)-1-[[2-(2-fluorophenoxy)acetyl]amino]propan-2-yl]-2-hydroxypentanamide
SMILESCCCC(O)C(=O)N[C@@H](C)CNC(=O)COc1ccccc1F
InChIInChI=1S/C16H23FN2O4/c1-3-6-13(20)16(22)19-11(2)9-18-15(21)10-23-14-8-5-4-7-12(14)17/h4-5,7-8,11,13,20H,3,6,9-10H2,1-2H3,(H,18,21)(H,19,22)/t11-,13?/m0/s1
InChIKeyVEIHVUUXGYGWQR-AMGKYWFPSA-N
MW326.37 g/mol
LogP0.99
Rot. Bonds9

About N-[(2S)-1-[[2-(2-fluorophenoxy)acetyl]amino]propan-2-yl]-2-hydroxypentanamide

N-[(2S)-1-[[2-(2-fluorophenoxy)acetyl]amino]propan-2-yl]-2-hydroxypentanamide (PubChem CID 155963538) has the molecular formula C16H23FN2O4 and a molecular weight of 326.37 g/mol. Its IUPAC name is N-[(2S)-1-[[2-(2-fluorophenoxy)acetyl]amino]propan-2-yl]-2-hydroxypentanamide.

Molecular Properties

Compound NameN-[(2S)-1-[[2-(2-fluorophenoxy)acetyl]amino]propan-2-yl]-2-hydroxypentanamide
PubChem CID155963538
Molecular FormulaC16H23FN2O4
Molecular Weight326.37 g/mol
Exact Mass326.16
IUPAC NameN-[(2S)-1-[[2-(2-fluorophenoxy)acetyl]amino]propan-2-yl]-2-hydroxypentanamide
SMILESCCCC(O)C(=O)N[C@@H](C)CNC(=O)COc1ccccc1F
InChIInChI=1S/C16H23FN2O4/c1-3-6-13(20)16(22)19-11(2)9-18-15(21)10-23-14-8-5-4-7-12(14)17/h4-5,7-8,11,13,20H,3,6,9-10H2,1-2H3,(H,18,21)(H,19,22)/t11-,13?/m0/s1
InChIKeyVEIHVUUXGYGWQR-AMGKYWFPSA-N
XLogP0.99
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-3-(2-fluorophenoxy)propanamide
CID 120650525
N-(2-cyclopropyl-2-hydroxyethyl)-2-(2-fluorophenoxy)acetamide
CID 63299007
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-fluorophenoxy)acetamide
CID 110663511
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(2-fluorophenoxy)acetamide
CID 41318277
N-[(2R)-2-(ethylamino)propyl]-2-(2-ethylphenoxy)acetamide;hydrochloride
CID 120653148
N-(2-hydroxypentyl)-2-(2-methoxyphenoxy)acetamide
CID 115700511
2-fluoro-6-[2-oxo-2-(pentan-2-ylamino)ethoxy]benzoic acid
CID 107014148
2-(2-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide
CID 111480362
2-(2-fluorophenoxy)-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]acetamide
CID 90597980
3-(2-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide
CID 120831531
(2S,3S)-2-[[2-(2-fluorophenoxy)acetyl]amino]-3-methylpentanoic acid
CID 61131464
N-(2-cyclohexyl-2-hydroxyethyl)-2-(2-fluorophenoxy)acetamide
CID 90498777

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[2-(2-fluorophenoxy)acetyl]amino]propan-2-yl]-2-hydroxypentanamide?
The IUPAC name of N-[(2S)-1-[[2-(2-fluorophenoxy)acetyl]amino]propan-2-yl]-2-hydroxypentanamide (CID 155963538) is N-[(2S)-1-[[2-(2-fluorophenoxy)acetyl]amino]propan-2-yl]-2-hydroxypentanamide.
What is the SMILES notation for N-[(2S)-1-[[2-(2-fluorophenoxy)acetyl]amino]propan-2-yl]-2-hydroxypentanamide?
The canonical SMILES for N-[(2S)-1-[[2-(2-fluorophenoxy)acetyl]amino]propan-2-yl]-2-hydroxypentanamide is CCCC(O)C(=O)N[C@@H](C)CNC(=O)COc1ccccc1F.
What is the InChIKey of N-[(2S)-1-[[2-(2-fluorophenoxy)acetyl]amino]propan-2-yl]-2-hydroxypentanamide?
The InChIKey is VEIHVUUXGYGWQR-AMGKYWFPSA-N. The full InChI is InChI=1S/C16H23FN2O4/c1-3-6-13(20)16(22)19-11(2)9-18-15(21)10-23-14-8-5-4-7-12(14)17/h4-5,7-8,11,13,20H,3,6,9-10H2,1-2H3,(H,18,21)(H,19,22)/t11-,13?/m0/s1.
What are the key properties of N-[(2S)-1-[[2-(2-fluorophenoxy)acetyl]amino]propan-2-yl]-2-hydroxypentanamide?
N-[(2S)-1-[[2-(2-fluorophenoxy)acetyl]amino]propan-2-yl]-2-hydroxypentanamide has a molecular weight of 326.37 g/mol, XLogP of 0.99, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[2-(2-fluorophenoxy)acetyl]amino]propan-2-yl]-2-hydroxypentanamide is sourced from PubChem (CID 155963538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).