(2R)-N-[2-(3,5-dimethylphenoxy)ethyl]-2-(4-fluorophenoxy)propanamide

C19H22FNO3 — CID 95161756

IUPAC(2R)-N-[2-(3,5-dimethylphenoxy)ethyl]-2-(4-fluorophenoxy)propanamide
SMILESCc1cc(C)cc(OCCNC(=O)[C@@H](C)Oc2ccc(F)cc2)c1
InChIInChI=1S/C19H22FNO3/c1-13-10-14(2)12-18(11-13)23-9-8-21-19(22)15(3)24-17-6-4-16(20)5-7-17/h4-7,10-12,15H,8-9H2,1-3H3,(H,21,22)/t15-/m1/s1
InChIKeySJGHRSHWFRRIBF-OAHLLOKOSA-N
MW331.39 g/mol
LogP3.41
Rot. Bonds7

About (2R)-N-[2-(3,5-dimethylphenoxy)ethyl]-2-(4-fluorophenoxy)propanamide

(2R)-N-[2-(3,5-dimethylphenoxy)ethyl]-2-(4-fluorophenoxy)propanamide (PubChem CID 95161756) has the molecular formula C19H22FNO3 and a molecular weight of 331.39 g/mol. Its IUPAC name is (2R)-N-[2-(3,5-dimethylphenoxy)ethyl]-2-(4-fluorophenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[2-(3,5-dimethylphenoxy)ethyl]-2-(4-fluorophenoxy)propanamide
PubChem CID95161756
Molecular FormulaC19H22FNO3
Molecular Weight331.39 g/mol
Exact Mass331.16
IUPAC Name(2R)-N-[2-(3,5-dimethylphenoxy)ethyl]-2-(4-fluorophenoxy)propanamide
SMILESCc1cc(C)cc(OCCNC(=O)[C@@H](C)Oc2ccc(F)cc2)c1
InChIInChI=1S/C19H22FNO3/c1-13-10-14(2)12-18(11-13)23-9-8-21-19(22)15(3)24-17-6-4-16(20)5-7-17/h4-7,10-12,15H,8-9H2,1-3H3,(H,21,22)/t15-/m1/s1
InChIKeySJGHRSHWFRRIBF-OAHLLOKOSA-N
XLogP3.41
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,5-dimethylphenoxy)ethyl]-2-(4-methylphenoxy)propanamide
CID 133240246
(2R)-N-[2-(4-fluorophenoxy)ethyl]-2-(3-methylphenoxy)propanamide
CID 37363339
(2R)-2-(4-fluorophenoxy)-N-[2-(2-methylphenoxy)ethyl]propanamide
CID 94633905
(2R)-N-[2-(4-fluorophenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100562896
2-(4-fluorophenoxy)-N-propylpropanamide
CID 21366860
N-[2-(2-chlorophenoxy)ethyl]-2-(4-fluorophenoxy)propanamide
CID 133164174
N-(3,5-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
CID 21173898
(2R)-2-(4-bromophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 27823617
(2R)-N-[2-(4-fluorophenoxy)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100563070
2-(3,5-dimethylphenoxy)-N-[2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethyl]propanamide
CID 121059415
(2S)-2-(3-fluorophenoxy)-N-(2-phenoxyethyl)propanamide
CID 30865784
N-[2-(3,4-dimethylphenoxy)ethyl]-2-phenoxypropanamide
CID 133210994

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(3,5-dimethylphenoxy)ethyl]-2-(4-fluorophenoxy)propanamide?
The IUPAC name of (2R)-N-[2-(3,5-dimethylphenoxy)ethyl]-2-(4-fluorophenoxy)propanamide (CID 95161756) is (2R)-N-[2-(3,5-dimethylphenoxy)ethyl]-2-(4-fluorophenoxy)propanamide.
What is the SMILES notation for (2R)-N-[2-(3,5-dimethylphenoxy)ethyl]-2-(4-fluorophenoxy)propanamide?
The canonical SMILES for (2R)-N-[2-(3,5-dimethylphenoxy)ethyl]-2-(4-fluorophenoxy)propanamide is Cc1cc(C)cc(OCCNC(=O)[C@@H](C)Oc2ccc(F)cc2)c1.
What is the InChIKey of (2R)-N-[2-(3,5-dimethylphenoxy)ethyl]-2-(4-fluorophenoxy)propanamide?
The InChIKey is SJGHRSHWFRRIBF-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22FNO3/c1-13-10-14(2)12-18(11-13)23-9-8-21-19(22)15(3)24-17-6-4-16(20)5-7-17/h4-7,10-12,15H,8-9H2,1-3H3,(H,21,22)/t15-/m1/s1.
What are the key properties of (2R)-N-[2-(3,5-dimethylphenoxy)ethyl]-2-(4-fluorophenoxy)propanamide?
(2R)-N-[2-(3,5-dimethylphenoxy)ethyl]-2-(4-fluorophenoxy)propanamide has a molecular weight of 331.39 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(3,5-dimethylphenoxy)ethyl]-2-(4-fluorophenoxy)propanamide is sourced from PubChem (CID 95161756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).