(2R)-2-butoxy-N-[(1R,2R)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]propanamide

C16H24FNO3 — CID 97237186

IUPAC(2R)-2-butoxy-N-[(1R,2R)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]propanamide
SMILESCCCCO[C@H](C)C(=O)N[C@H](C)[C@H](O)c1ccc(F)cc1
InChIInChI=1S/C16H24FNO3/c1-4-5-10-21-12(3)16(20)18-11(2)15(19)13-6-8-14(17)9-7-13/h6-9,11-12,15,19H,4-5,10H2,1-3H3,(H,18,20)/t11-,12-,15+/m1/s1
InChIKeyKBEFCFSCJOYYLX-JMSVASOKSA-N
MW297.37 g/mol
LogP2.57
Rot. Bonds8

About (2R)-2-butoxy-N-[(1R,2R)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]propanamide

(2R)-2-butoxy-N-[(1R,2R)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]propanamide (PubChem CID 97237186) has the molecular formula C16H24FNO3 and a molecular weight of 297.37 g/mol. Its IUPAC name is (2R)-2-butoxy-N-[(1R,2R)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-butoxy-N-[(1R,2R)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]propanamide
PubChem CID97237186
Molecular FormulaC16H24FNO3
Molecular Weight297.37 g/mol
Exact Mass297.17
IUPAC Name(2R)-2-butoxy-N-[(1R,2R)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]propanamide
SMILESCCCCO[C@H](C)C(=O)N[C@H](C)[C@H](O)c1ccc(F)cc1
InChIInChI=1S/C16H24FNO3/c1-4-5-10-21-12(3)16(20)18-11(2)15(19)13-6-8-14(17)9-7-13/h6-9,11-12,15,19H,4-5,10H2,1-3H3,(H,18,20)/t11-,12-,15+/m1/s1
InChIKeyKBEFCFSCJOYYLX-JMSVASOKSA-N
XLogP2.57
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[bis(4-methoxyphenyl)methyl]-2-butoxypropanamide
CID 48658410
N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 110000365
N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-(4-methylphenyl)-2-oxoacetamide
CID 111115069
(2R)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(4-fluorophenoxy)propanamide
CID 28958208
N-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-phenoxyacetamide
CID 97069041
ethyl 4-[(2S)-1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-1-oxopropan-2-yl]oxybenzoate
CID 7471646
1-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-(2-methoxyphenyl)urea
CID 95979768
2-tert-butylsulfanyl-N-[(1S,2R)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]acetamide
CID 97237202
1,3-bis(4-fluorophenyl)-3-hydroxy-2-methylpropan-1-one
CID 75056323
(2R)-2-(4-fluorophenoxy)-N-[(2R)-3-methylbutan-2-yl]butanamide
CID 100569000
(2R)-2-(2-ethylphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 92682028
N'-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-N-(2,2,2-trifluoroethyl)propanediamide
CID 110017592

Frequently Asked Questions

What is the IUPAC name of (2R)-2-butoxy-N-[(1R,2R)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]propanamide?
The IUPAC name of (2R)-2-butoxy-N-[(1R,2R)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]propanamide (CID 97237186) is (2R)-2-butoxy-N-[(1R,2R)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]propanamide.
What is the SMILES notation for (2R)-2-butoxy-N-[(1R,2R)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]propanamide?
The canonical SMILES for (2R)-2-butoxy-N-[(1R,2R)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]propanamide is CCCCO[C@H](C)C(=O)N[C@H](C)[C@H](O)c1ccc(F)cc1.
What is the InChIKey of (2R)-2-butoxy-N-[(1R,2R)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]propanamide?
The InChIKey is KBEFCFSCJOYYLX-JMSVASOKSA-N. The full InChI is InChI=1S/C16H24FNO3/c1-4-5-10-21-12(3)16(20)18-11(2)15(19)13-6-8-14(17)9-7-13/h6-9,11-12,15,19H,4-5,10H2,1-3H3,(H,18,20)/t11-,12-,15+/m1/s1.
What are the key properties of (2R)-2-butoxy-N-[(1R,2R)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]propanamide?
(2R)-2-butoxy-N-[(1R,2R)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]propanamide has a molecular weight of 297.37 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-butoxy-N-[(1R,2R)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]propanamide is sourced from PubChem (CID 97237186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).