(2R)-N-[3-(dimethylamino)propyl]-2-(4-fluorophenoxy)butanamide

C15H23FN2O2 — CID 99952368

IUPAC(2R)-N-[3-(dimethylamino)propyl]-2-(4-fluorophenoxy)butanamide
SMILESCC[C@@H](Oc1ccc(F)cc1)C(=O)NCCCN(C)C
InChIInChI=1S/C15H23FN2O2/c1-4-14(15(19)17-10-5-11-18(2)3)20-13-8-6-12(16)7-9-13/h6-9,14H,4-5,10-11H2,1-3H3,(H,17,19)/t14-/m1/s1
InChIKeyQVSSKMKNSYPTBA-CQSZACIVSA-N
MW282.36 g/mol
LogP2.05
Rot. Bonds8

About (2R)-N-[3-(dimethylamino)propyl]-2-(4-fluorophenoxy)butanamide

(2R)-N-[3-(dimethylamino)propyl]-2-(4-fluorophenoxy)butanamide (PubChem CID 99952368) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is (2R)-N-[3-(dimethylamino)propyl]-2-(4-fluorophenoxy)butanamide.

Molecular Properties

Compound Name(2R)-N-[3-(dimethylamino)propyl]-2-(4-fluorophenoxy)butanamide
PubChem CID99952368
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name(2R)-N-[3-(dimethylamino)propyl]-2-(4-fluorophenoxy)butanamide
SMILESCC[C@@H](Oc1ccc(F)cc1)C(=O)NCCCN(C)C
InChIInChI=1S/C15H23FN2O2/c1-4-14(15(19)17-10-5-11-18(2)3)20-13-8-6-12(16)7-9-13/h6-9,14H,4-5,10-11H2,1-3H3,(H,17,19)/t14-/m1/s1
InChIKeyQVSSKMKNSYPTBA-CQSZACIVSA-N
XLogP2.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.05
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

(2S)-2-(4-fluorophenoxy)-N-(3-phenylpropyl)butanamide
CID 99952431
(2S)-2-(4-fluorophenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide
CID 99954339
(2S)-2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]butanamide
CID 99951781
(2R)-2-(4-fluorophenoxy)-N-(3-piperidin-1-ylpropyl)butanamide
CID 28576885
(2S)-N-(2-tert-butylsulfanylethyl)-2-(4-fluorophenoxy)butanamide
CID 38012795
(2S)-2-(4-fluorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 92683031
(2R)-2-(4-fluorophenoxy)-N-[(2R)-3-methylbutan-2-yl]butanamide
CID 100569000
(2R)-N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(4-fluorophenoxy)butanamide
CID 35343501
2-(4-fluorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
CID 46771830
(2R)-2-phenoxy-N-[4-[[(2S)-2-phenoxybutanoyl]amino]butyl]butanamide
CID 7449151
(2R)-2-(4-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide
CID 38011679
(2R)-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenoxy)butanamide
CID 99130903

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(dimethylamino)propyl]-2-(4-fluorophenoxy)butanamide?
The IUPAC name of (2R)-N-[3-(dimethylamino)propyl]-2-(4-fluorophenoxy)butanamide (CID 99952368) is (2R)-N-[3-(dimethylamino)propyl]-2-(4-fluorophenoxy)butanamide.
What is the SMILES notation for (2R)-N-[3-(dimethylamino)propyl]-2-(4-fluorophenoxy)butanamide?
The canonical SMILES for (2R)-N-[3-(dimethylamino)propyl]-2-(4-fluorophenoxy)butanamide is CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCCN(C)C.
What is the InChIKey of (2R)-N-[3-(dimethylamino)propyl]-2-(4-fluorophenoxy)butanamide?
The InChIKey is QVSSKMKNSYPTBA-CQSZACIVSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-4-14(15(19)17-10-5-11-18(2)3)20-13-8-6-12(16)7-9-13/h6-9,14H,4-5,10-11H2,1-3H3,(H,17,19)/t14-/m1/s1.
What are the key properties of (2R)-N-[3-(dimethylamino)propyl]-2-(4-fluorophenoxy)butanamide?
(2R)-N-[3-(dimethylamino)propyl]-2-(4-fluorophenoxy)butanamide has a molecular weight of 282.36 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(dimethylamino)propyl]-2-(4-fluorophenoxy)butanamide is sourced from PubChem (CID 99952368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).