N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(3-fluorophenoxy)propanamide

C15H23FN2O3 — CID 103839738

IUPACN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(3-fluorophenoxy)propanamide
SMILESCN(C)CC(C)(O)CNC(=O)CCOc1cccc(F)c1
InChIInChI=1S/C15H23FN2O3/c1-15(20,11-18(2)3)10-17-14(19)7-8-21-13-6-4-5-12(16)9-13/h4-6,9,20H,7-8,10-11H2,1-3H3,(H,17,19)
InChIKeyFPENRKBBJGAMIX-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.02
Rot. Bonds8

About N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(3-fluorophenoxy)propanamide

N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(3-fluorophenoxy)propanamide (PubChem CID 103839738) has the molecular formula C15H23FN2O3 and a molecular weight of 298.36 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(3-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(3-fluorophenoxy)propanamide
PubChem CID103839738
Molecular FormulaC15H23FN2O3
Molecular Weight298.36 g/mol
Exact Mass298.17
IUPAC NameN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(3-fluorophenoxy)propanamide
SMILESCN(C)CC(C)(O)CNC(=O)CCOc1cccc(F)c1
InChIInChI=1S/C15H23FN2O3/c1-15(20,11-18(2)3)10-17-14(19)7-8-21-13-6-4-5-12(16)9-13/h4-6,9,20H,7-8,10-11H2,1-3H3,(H,17,19)
InChIKeyFPENRKBBJGAMIX-UHFFFAOYSA-N
XLogP1.02
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-bromophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide
CID 103839832
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(2-methylphenoxy)propanamide
CID 103839511
3-(3-fluorophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 43500929
3-[3-(3-fluorophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 66167434
N-(2-amino-2-ethylbutyl)-4-(3-fluorophenoxy)butanamide
CID 119642968
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 103839576
3-(3-fluorophenoxy)-N-(2-hydroxy-3-methylbutyl)propanamide
CID 115746113
N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(3-methylphenoxy)butanamide
CID 134008156
2-[3-(3-fluorophenoxy)propanoylamino]-3,3-dimethylbutanoic acid
CID 43467510
methyl 3-(3-fluorophenoxy)propanoate
CID 28889468
3-(3-bromophenoxy)-N-(2-hydroxy-2,4-dimethylpentyl)propanamide
CID 66178943
1-[2-(dimethylamino)ethyl]-3-[2-(3-fluorophenoxy)ethyl]urea
CID 112970330

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(3-fluorophenoxy)propanamide?
The IUPAC name of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(3-fluorophenoxy)propanamide (CID 103839738) is N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(3-fluorophenoxy)propanamide.
What is the SMILES notation for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(3-fluorophenoxy)propanamide?
The canonical SMILES for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(3-fluorophenoxy)propanamide is CN(C)CC(C)(O)CNC(=O)CCOc1cccc(F)c1.
What is the InChIKey of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(3-fluorophenoxy)propanamide?
The InChIKey is FPENRKBBJGAMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O3/c1-15(20,11-18(2)3)10-17-14(19)7-8-21-13-6-4-5-12(16)9-13/h4-6,9,20H,7-8,10-11H2,1-3H3,(H,17,19).
What are the key properties of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(3-fluorophenoxy)propanamide?
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(3-fluorophenoxy)propanamide has a molecular weight of 298.36 g/mol, XLogP of 1.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(3-fluorophenoxy)propanamide is sourced from PubChem (CID 103839738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).