(3S)-N-ethyl-4-(3-fluorophenyl)-N-[(2S)-2-hydroxypropyl]-3-methylbutanamide

C16H24FNO2 — CID 124882902

IUPAC(3S)-N-ethyl-4-(3-fluorophenyl)-N-[(2S)-2-hydroxypropyl]-3-methylbutanamide
SMILESCCN(C[C@H](C)O)C(=O)C[C@@H](C)Cc1cccc(F)c1
InChIInChI=1S/C16H24FNO2/c1-4-18(11-13(3)19)16(20)9-12(2)8-14-6-5-7-15(17)10-14/h5-7,10,12-13,19H,4,8-9,11H2,1-3H3/t12-,13-/m0/s1
InChIKeySLROYNSGBXRIKB-STQMWFEESA-N
MW281.37 g/mol
LogP2.62
Rot. Bonds7

About (3S)-N-ethyl-4-(3-fluorophenyl)-N-[(2S)-2-hydroxypropyl]-3-methylbutanamide

(3S)-N-ethyl-4-(3-fluorophenyl)-N-[(2S)-2-hydroxypropyl]-3-methylbutanamide (PubChem CID 124882902) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is (3S)-N-ethyl-4-(3-fluorophenyl)-N-[(2S)-2-hydroxypropyl]-3-methylbutanamide.

Molecular Properties

Compound Name(3S)-N-ethyl-4-(3-fluorophenyl)-N-[(2S)-2-hydroxypropyl]-3-methylbutanamide
PubChem CID124882902
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name(3S)-N-ethyl-4-(3-fluorophenyl)-N-[(2S)-2-hydroxypropyl]-3-methylbutanamide
SMILESCCN(C[C@H](C)O)C(=O)C[C@@H](C)Cc1cccc(F)c1
InChIInChI=1S/C16H24FNO2/c1-4-18(11-13(3)19)16(20)9-12(2)8-14-6-5-7-15(17)10-14/h5-7,10,12-13,19H,4,8-9,11H2,1-3H3/t12-,13-/m0/s1
InChIKeySLROYNSGBXRIKB-STQMWFEESA-N
XLogP2.62
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-(3-fluorophenyl)-3-methylbutanoyl]-(2-methylpropyl)amino]acetic acid
CID 86814558
2-[[4-(3-fluorophenyl)-3-methylbutanoyl]-methylamino]propanoic acid
CID 119359285
1-fluoro-3-[(2S)-2-methylbutyl]benzene
CID 125477231
4-[4-(3-fluorophenyl)-3-methylbutanoyl]-N,N-dimethylpiperazine-1-carboxamide
CID 71866997
1-(3-fluorophenyl)-4-methylhexan-2-one
CID 62622297
2-[[4-(3-fluorophenyl)-3-methylbutanoyl]amino]acetic acid
CID 119350465
3-[[4-(3-fluorophenyl)-3-methylbutanoyl]amino]butanoic acid
CID 119347966
N-(3-aminobutyl)-4-(3-fluorophenyl)-3-methylbutanamide
CID 119499131
(2R)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]propanamide
CID 78973383
(3R)-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-(3-fluorophenyl)-3-methylbutanamide
CID 95903648
2-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 9317159
2-(diethylamino)-3-(3-fluorophenyl)propanoic acid
CID 83969897

Frequently Asked Questions

What is the IUPAC name of (3S)-N-ethyl-4-(3-fluorophenyl)-N-[(2S)-2-hydroxypropyl]-3-methylbutanamide?
The IUPAC name of (3S)-N-ethyl-4-(3-fluorophenyl)-N-[(2S)-2-hydroxypropyl]-3-methylbutanamide (CID 124882902) is (3S)-N-ethyl-4-(3-fluorophenyl)-N-[(2S)-2-hydroxypropyl]-3-methylbutanamide.
What is the SMILES notation for (3S)-N-ethyl-4-(3-fluorophenyl)-N-[(2S)-2-hydroxypropyl]-3-methylbutanamide?
The canonical SMILES for (3S)-N-ethyl-4-(3-fluorophenyl)-N-[(2S)-2-hydroxypropyl]-3-methylbutanamide is CCN(C[C@H](C)O)C(=O)C[C@@H](C)Cc1cccc(F)c1.
What is the InChIKey of (3S)-N-ethyl-4-(3-fluorophenyl)-N-[(2S)-2-hydroxypropyl]-3-methylbutanamide?
The InChIKey is SLROYNSGBXRIKB-STQMWFEESA-N. The full InChI is InChI=1S/C16H24FNO2/c1-4-18(11-13(3)19)16(20)9-12(2)8-14-6-5-7-15(17)10-14/h5-7,10,12-13,19H,4,8-9,11H2,1-3H3/t12-,13-/m0/s1.
What are the key properties of (3S)-N-ethyl-4-(3-fluorophenyl)-N-[(2S)-2-hydroxypropyl]-3-methylbutanamide?
(3S)-N-ethyl-4-(3-fluorophenyl)-N-[(2S)-2-hydroxypropyl]-3-methylbutanamide has a molecular weight of 281.37 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-ethyl-4-(3-fluorophenyl)-N-[(2S)-2-hydroxypropyl]-3-methylbutanamide is sourced from PubChem (CID 124882902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).