(2S)-2-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]butanamide

C15H23FN2O — CID 79024176

IUPAC(2S)-2-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]butanamide
SMILESCC[C@H](N)C(=O)NC(c1ccc(F)cc1)C(C)(C)C
InChIInChI=1S/C15H23FN2O/c1-5-12(17)14(19)18-13(15(2,3)4)10-6-8-11(16)9-7-10/h6-9,12-13H,5,17H2,1-4H3,(H,18,19)/t12-,13?/m0/s1
InChIKeyICKZQVCAJVCAKV-UEWDXFNNSA-N
MW266.36 g/mol
LogP2.77
Rot. Bonds4

About (2S)-2-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]butanamide

(2S)-2-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]butanamide (PubChem CID 79024176) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]butanamide
PubChem CID79024176
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name(2S)-2-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]butanamide
SMILESCC[C@H](N)C(=O)NC(c1ccc(F)cc1)C(C)(C)C
InChIInChI=1S/C15H23FN2O/c1-5-12(17)14(19)18-13(15(2,3)4)10-6-8-11(16)9-7-10/h6-9,12-13H,5,17H2,1-4H3,(H,18,19)/t12-,13?/m0/s1
InChIKeyICKZQVCAJVCAKV-UEWDXFNNSA-N
XLogP2.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
CID 79024949
(2R)-2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]butanamide
CID 81349306
N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-(methylamino)propanamide
CID 62637670
2-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-methylpentanamide
CID 60847374
5-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-methylpentanamide
CID 104684157
N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-oxobutanamide
CID 61249393
2-[[(1R)-1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]acetamide
CID 94197027
(2S)-2-amino-N-[1-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 79024381
2-amino-N-[1-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 43711976
(2S)-2-amino-N-[2-(4-fluorophenyl)ethyl]butanamide;hydrochloride
CID 119263958
2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methylpentanamide
CID 81348779
1-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]cyclopentane-1-carboxamide
CID 60852822

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]butanamide?
The IUPAC name of (2S)-2-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]butanamide (CID 79024176) is (2S)-2-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]butanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]butanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]butanamide is CC[C@H](N)C(=O)NC(c1ccc(F)cc1)C(C)(C)C.
What is the InChIKey of (2S)-2-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]butanamide?
The InChIKey is ICKZQVCAJVCAKV-UEWDXFNNSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-5-12(17)14(19)18-13(15(2,3)4)10-6-8-11(16)9-7-10/h6-9,12-13H,5,17H2,1-4H3,(H,18,19)/t12-,13?/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]butanamide?
(2S)-2-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]butanamide has a molecular weight of 266.36 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]butanamide is sourced from PubChem (CID 79024176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).