N-[(2R)-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-4-(2-methylphenoxy)butanamide

C20H24FNO3 — CID 99780561

IUPACN-[(2R)-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-4-(2-methylphenoxy)butanamide
SMILESCc1ccccc1OCCCC(=O)N[C@@H](CO)Cc1ccc(F)cc1
InChIInChI=1S/C20H24FNO3/c1-15-5-2-3-6-19(15)25-12-4-7-20(24)22-18(14-23)13-16-8-10-17(21)11-9-16/h2-3,5-6,8-11,18,23H,4,7,12-14H2,1H3,(H,22,24)/t18-/m1/s1
InChIKeyLMRXVCPKYITFME-GOSISDBHSA-N
MW345.41 g/mol
LogP3.01
Rot. Bonds9

About N-[(2R)-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-4-(2-methylphenoxy)butanamide

N-[(2R)-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-4-(2-methylphenoxy)butanamide (PubChem CID 99780561) has the molecular formula C20H24FNO3 and a molecular weight of 345.41 g/mol. Its IUPAC name is N-[(2R)-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-4-(2-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[(2R)-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-4-(2-methylphenoxy)butanamide
PubChem CID99780561
Molecular FormulaC20H24FNO3
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC NameN-[(2R)-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-4-(2-methylphenoxy)butanamide
SMILESCc1ccccc1OCCCC(=O)N[C@@H](CO)Cc1ccc(F)cc1
InChIInChI=1S/C20H24FNO3/c1-15-5-2-3-6-19(15)25-12-4-7-20(24)22-18(14-23)13-16-8-10-17(21)11-9-16/h2-3,5-6,8-11,18,23H,4,7,12-14H2,1H3,(H,22,24)/t18-/m1/s1
InChIKeyLMRXVCPKYITFME-GOSISDBHSA-N
XLogP3.01
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.01
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-[(2S)-1-hydroxybutan-2-yl]-3-(2-methylphenoxy)propanamide
CID 104981198
2-[(4-fluorophenyl)methyl]-3-[4-(2-methylphenoxy)butanoylamino]propanamide
CID 60601122
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-(2-methylphenoxy)butanamide
CID 103798851
N-[(2R)-1-hydroxypropan-2-yl]-3-(2-methylphenoxy)propanamide
CID 79027770
(2S)-3-methyl-2-[4-(2-methylphenoxy)butanoylamino]butanoic acid
CID 61137299
ethyl 2-[4-(2-methylphenoxy)butanoylamino]propanoate
CID 61343880
4-(4-tert-butyl-2-methylphenoxy)-N-(1-hydroxy-3-pyridin-3-ylpropan-2-yl)butanamide
CID 166237555
N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
CID 102096047
N-(1-hydroxy-3-methoxypropan-2-yl)-2-(2-methylphenoxy)acetamide
CID 114078989
(2R)-2-[4-(2-methylphenoxy)butanoylamino]pentanoic acid
CID 107563152
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]heptanamide
CID 42364081
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]octanamide
CID 102673841

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-4-(2-methylphenoxy)butanamide?
The IUPAC name of N-[(2R)-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-4-(2-methylphenoxy)butanamide (CID 99780561) is N-[(2R)-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-4-(2-methylphenoxy)butanamide.
What is the SMILES notation for N-[(2R)-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-4-(2-methylphenoxy)butanamide?
The canonical SMILES for N-[(2R)-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-4-(2-methylphenoxy)butanamide is Cc1ccccc1OCCCC(=O)N[C@@H](CO)Cc1ccc(F)cc1.
What is the InChIKey of N-[(2R)-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-4-(2-methylphenoxy)butanamide?
The InChIKey is LMRXVCPKYITFME-GOSISDBHSA-N. The full InChI is InChI=1S/C20H24FNO3/c1-15-5-2-3-6-19(15)25-12-4-7-20(24)22-18(14-23)13-16-8-10-17(21)11-9-16/h2-3,5-6,8-11,18,23H,4,7,12-14H2,1H3,(H,22,24)/t18-/m1/s1.
What are the key properties of N-[(2R)-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-4-(2-methylphenoxy)butanamide?
N-[(2R)-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-4-(2-methylphenoxy)butanamide has a molecular weight of 345.41 g/mol, XLogP of 3.01, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-4-(2-methylphenoxy)butanamide is sourced from PubChem (CID 99780561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).