N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-3-(4-fluorophenyl)propanamide

C20H24FNO2 — CID 100692631

IUPACN-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-3-(4-fluorophenyl)propanamide
SMILESCc1ccc(OC[C@@H](C)NC(=O)CCc2ccc(F)cc2)cc1C
InChIInChI=1S/C20H24FNO2/c1-14-4-10-19(12-15(14)2)24-13-16(3)22-20(23)11-7-17-5-8-18(21)9-6-17/h4-6,8-10,12,16H,7,11,13H2,1-3H3,(H,22,23)/t16-/m1/s1
InChIKeyDCSDNEBYTAENKT-MRXNPFEDSA-N
MW329.42 g/mol
LogP3.96
Rot. Bonds7

About N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-3-(4-fluorophenyl)propanamide

N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-3-(4-fluorophenyl)propanamide (PubChem CID 100692631) has the molecular formula C20H24FNO2 and a molecular weight of 329.42 g/mol. Its IUPAC name is N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-3-(4-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-3-(4-fluorophenyl)propanamide
PubChem CID100692631
Molecular FormulaC20H24FNO2
Molecular Weight329.42 g/mol
Exact Mass329.18
IUPAC NameN-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-3-(4-fluorophenyl)propanamide
SMILESCc1ccc(OC[C@@H](C)NC(=O)CCc2ccc(F)cc2)cc1C
InChIInChI=1S/C20H24FNO2/c1-14-4-10-19(12-15(14)2)24-13-16(3)22-20(23)11-7-17-5-8-18(21)9-6-17/h4-6,8-10,12,16H,7,11,13H2,1-3H3,(H,22,23)/t16-/m1/s1
InChIKeyDCSDNEBYTAENKT-MRXNPFEDSA-N
XLogP3.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,4-dimethylphenoxy)propan-2-yl]-3-(4-fluorophenyl)propanamide
CID 133210666
1-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-3-(4-fluorophenyl)thiourea
CID 100752360
3-(3,4-dimethylphenoxy)-N-[(2R)-1-methoxypropan-2-yl]propanamide
CID 94821099
3-(4-fluorophenyl)-N-(1-hydroxypropan-2-yl)propanamide
CID 43418758
N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-2,2-dimethylpropanamide
CID 100760780
3-(4-methoxyphenyl)-N-[(2R)-1-phenoxypropan-2-yl]propanamide
CID 94625030
N-[1-(3,4-dimethylphenoxy)propan-2-yl]-2-(2,4-dimethylphenyl)acetamide
CID 133262161
2-(3-chlorophenyl)-N-[(2S)-1-(3,4-dimethylphenoxy)propan-2-yl]acetamide
CID 100767509
3-(3,4-dichlorophenyl)-N-[1-(4-methylphenoxy)propan-2-yl]propanamide
CID 133220730
1-(2,4-difluorophenyl)-3-[(2S)-1-(3,4-dimethylphenoxy)propan-2-yl]thiourea
CID 100752508
N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide
CID 133178558
3-(4-fluorophenyl)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 94870735

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-3-(4-fluorophenyl)propanamide?
The IUPAC name of N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-3-(4-fluorophenyl)propanamide (CID 100692631) is N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-3-(4-fluorophenyl)propanamide.
What is the SMILES notation for N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-3-(4-fluorophenyl)propanamide?
The canonical SMILES for N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-3-(4-fluorophenyl)propanamide is Cc1ccc(OC[C@@H](C)NC(=O)CCc2ccc(F)cc2)cc1C.
What is the InChIKey of N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-3-(4-fluorophenyl)propanamide?
The InChIKey is DCSDNEBYTAENKT-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24FNO2/c1-14-4-10-19(12-15(14)2)24-13-16(3)22-20(23)11-7-17-5-8-18(21)9-6-17/h4-6,8-10,12,16H,7,11,13H2,1-3H3,(H,22,23)/t16-/m1/s1.
What are the key properties of N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-3-(4-fluorophenyl)propanamide?
N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-3-(4-fluorophenyl)propanamide has a molecular weight of 329.42 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-3-(4-fluorophenyl)propanamide is sourced from PubChem (CID 100692631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).