(2S)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-phenylbutanamide

C20H25FN2O — CID 30526386

IUPAC(2S)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-phenylbutanamide
SMILESCC[C@H](C(=O)NC[C@H](c1cccc(F)c1)N(C)C)c1ccccc1
InChIInChI=1S/C20H25FN2O/c1-4-18(15-9-6-5-7-10-15)20(24)22-14-19(23(2)3)16-11-8-12-17(21)13-16/h5-13,18-19H,4,14H2,1-3H3,(H,22,24)/t18-,19+/m0/s1
InChIKeySKEIAPKEOFSDFW-RBUKOAKNSA-N
MW328.43 g/mol
LogP3.74
Rot. Bonds7

About (2S)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-phenylbutanamide

(2S)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-phenylbutanamide (PubChem CID 30526386) has the molecular formula C20H25FN2O and a molecular weight of 328.43 g/mol. Its IUPAC name is (2S)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-phenylbutanamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-phenylbutanamide
PubChem CID30526386
Molecular FormulaC20H25FN2O
Molecular Weight328.43 g/mol
Exact Mass328.20
IUPAC Name(2S)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-phenylbutanamide
SMILESCC[C@H](C(=O)NC[C@H](c1cccc(F)c1)N(C)C)c1ccccc1
InChIInChI=1S/C20H25FN2O/c1-4-18(15-9-6-5-7-10-15)20(24)22-14-19(23(2)3)16-11-8-12-17(21)13-16/h5-13,18-19H,4,14H2,1-3H3,(H,22,24)/t18-,19+/m0/s1
InChIKeySKEIAPKEOFSDFW-RBUKOAKNSA-N
XLogP3.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 46419114
(2S)-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-2-phenylbutanamide
CID 129358899
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3,5-difluorobenzamide
CID 51179438
3-[2-(4-fluorophenyl)butanoylamino]-2-phenylpropanoic acid
CID 120528828
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-hydroxy-3-phenylbutanamide
CID 110024409
2-amino-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669334
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(2-hydroxyphenyl)propanamide
CID 134057323
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 55370053
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylbenzamide
CID 51186635
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51186638
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-dimethylbenzamide
CID 25480231
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 134057340

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-phenylbutanamide?
The IUPAC name of (2S)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-phenylbutanamide (CID 30526386) is (2S)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-phenylbutanamide.
What is the SMILES notation for (2S)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-phenylbutanamide?
The canonical SMILES for (2S)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-phenylbutanamide is CC[C@H](C(=O)NC[C@H](c1cccc(F)c1)N(C)C)c1ccccc1.
What is the InChIKey of (2S)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-phenylbutanamide?
The InChIKey is SKEIAPKEOFSDFW-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H25FN2O/c1-4-18(15-9-6-5-7-10-15)20(24)22-14-19(23(2)3)16-11-8-12-17(21)13-16/h5-13,18-19H,4,14H2,1-3H3,(H,22,24)/t18-,19+/m0/s1.
What are the key properties of (2S)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-phenylbutanamide?
(2S)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-phenylbutanamide has a molecular weight of 328.43 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-phenylbutanamide is sourced from PubChem (CID 30526386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).