(2S)-4-(3-fluorophenyl)-N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]-2-methylbutanamide

C15H22FNO3 — CID 124848839

IUPAC(2S)-4-(3-fluorophenyl)-N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]-2-methylbutanamide
SMILESCOC[C@@H](CO)NC(=O)[C@@H](C)CCc1cccc(F)c1
InChIInChI=1S/C15H22FNO3/c1-11(15(19)17-14(9-18)10-20-2)6-7-12-4-3-5-13(16)8-12/h3-5,8,11,14,18H,6-7,9-10H2,1-2H3,(H,17,19)/t11-,14+/m0/s1
InChIKeyNMLHTVURPTUNRG-SMDDNHRTSA-N
MW283.34 g/mol
LogP1.52
Rot. Bonds8

About (2S)-4-(3-fluorophenyl)-N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]-2-methylbutanamide

(2S)-4-(3-fluorophenyl)-N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]-2-methylbutanamide (PubChem CID 124848839) has the molecular formula C15H22FNO3 and a molecular weight of 283.34 g/mol. Its IUPAC name is (2S)-4-(3-fluorophenyl)-N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]-2-methylbutanamide.

Molecular Properties

Compound Name(2S)-4-(3-fluorophenyl)-N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]-2-methylbutanamide
PubChem CID124848839
Molecular FormulaC15H22FNO3
Molecular Weight283.34 g/mol
Exact Mass283.16
IUPAC Name(2S)-4-(3-fluorophenyl)-N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]-2-methylbutanamide
SMILESCOC[C@@H](CO)NC(=O)[C@@H](C)CCc1cccc(F)c1
InChIInChI=1S/C15H22FNO3/c1-11(15(19)17-14(9-18)10-20-2)6-7-12-4-3-5-13(16)8-12/h3-5,8,11,14,18H,6-7,9-10H2,1-2H3,(H,17,19)/t11-,14+/m0/s1
InChIKeyNMLHTVURPTUNRG-SMDDNHRTSA-N
XLogP1.52
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[4-(3-fluorophenyl)-2-methylbutanoyl]amino]-3-phenylpropanoic acid
CID 119366770
N-(1-amino-4-methylpentan-2-yl)-4-(3-fluorophenyl)-2-methylbutanamide;hydrochloride
CID 119585743
(2R)-2-[[(2S)-3-(3-fluorophenyl)-2-methylpropanoyl]amino]propanoic acid
CID 124887779
(2R)-2-[[(2R)-3-(3-fluorophenyl)-2-methylpropanoyl]amino]propanoic acid
CID 124887788
3-(3-fluorophenyl)-N-[(2S)-1-methoxypropan-2-yl]propanamide
CID 51725488
2-[[(2S)-4-(3-fluorophenyl)butan-2-yl]amino]-2-oxoacetic acid
CID 99784116
2-(3-fluorophenoxy)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide
CID 114078973
4-(3-fluorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-2-methylbutanamide
CID 111477260
N-(3-aminopropyl)-4-(3-fluorophenyl)-2-methylbutanamide
CID 119405222
6-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-methylheptanamide
CID 106188485
4-[[[4-(3-fluorophenyl)-2-methylbutanoyl]amino]methyl]benzoic acid
CID 119165629
2-acetamido-N-[(3-fluorophenyl)methyl]-3-methoxypropanamide
CID 23240473

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(3-fluorophenyl)-N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]-2-methylbutanamide?
The IUPAC name of (2S)-4-(3-fluorophenyl)-N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]-2-methylbutanamide (CID 124848839) is (2S)-4-(3-fluorophenyl)-N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]-2-methylbutanamide.
What is the SMILES notation for (2S)-4-(3-fluorophenyl)-N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]-2-methylbutanamide?
The canonical SMILES for (2S)-4-(3-fluorophenyl)-N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]-2-methylbutanamide is COC[C@@H](CO)NC(=O)[C@@H](C)CCc1cccc(F)c1.
What is the InChIKey of (2S)-4-(3-fluorophenyl)-N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]-2-methylbutanamide?
The InChIKey is NMLHTVURPTUNRG-SMDDNHRTSA-N. The full InChI is InChI=1S/C15H22FNO3/c1-11(15(19)17-14(9-18)10-20-2)6-7-12-4-3-5-13(16)8-12/h3-5,8,11,14,18H,6-7,9-10H2,1-2H3,(H,17,19)/t11-,14+/m0/s1.
What are the key properties of (2S)-4-(3-fluorophenyl)-N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]-2-methylbutanamide?
(2S)-4-(3-fluorophenyl)-N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]-2-methylbutanamide has a molecular weight of 283.34 g/mol, XLogP of 1.52, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(3-fluorophenyl)-N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]-2-methylbutanamide is sourced from PubChem (CID 124848839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).