5-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-methylpentanamide

C17H27FN2O — CID 104684157

IUPAC5-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-methylpentanamide
SMILESCC(CCCN)C(=O)NC(c1ccc(F)cc1)C(C)(C)C
InChIInChI=1S/C17H27FN2O/c1-12(6-5-11-19)16(21)20-15(17(2,3)4)13-7-9-14(18)10-8-13/h7-10,12,15H,5-6,11,19H2,1-4H3,(H,20,21)
InChIKeyQBMHTCVAEYFDEP-UHFFFAOYSA-N
MW294.41 g/mol
LogP3.40
Rot. Bonds6

About 5-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-methylpentanamide

5-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-methylpentanamide (PubChem CID 104684157) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is 5-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-methylpentanamide
PubChem CID104684157
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name5-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-methylpentanamide
SMILESCC(CCCN)C(=O)NC(c1ccc(F)cc1)C(C)(C)C
InChIInChI=1S/C17H27FN2O/c1-12(6-5-11-19)16(21)20-15(17(2,3)4)13-7-9-14(18)10-8-13/h7-10,12,15H,5-6,11,19H2,1-4H3,(H,20,21)
InChIKeyQBMHTCVAEYFDEP-UHFFFAOYSA-N
XLogP3.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]butanamide
CID 79024176
N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-(methylamino)propanamide
CID 62637670
6-amino-N-[1-(4-fluorophenyl)ethyl]-2-methylheptanamide
CID 65292258
4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide
CID 81350119
N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-oxobutanamide
CID 61249393
4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
CID 43703533
5-amino-N-[1-(4-chlorophenyl)propyl]-2-methylpentanamide
CID 104683907
5-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methylpentanamide
CID 104684492
2-[[(1R)-1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]acetamide
CID 94197027
2-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-methylpentanamide
CID 60847374
5-amino-N-ethyl-2-(4-fluorophenyl)pentanamide
CID 112515678
5-amino-2-methyl-N-[1-(4-sulfamoylphenyl)ethyl]pentanamide
CID 104683857

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-methylpentanamide?
The IUPAC name of 5-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-methylpentanamide (CID 104684157) is 5-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-methylpentanamide.
What is the SMILES notation for 5-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-methylpentanamide?
The canonical SMILES for 5-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-methylpentanamide is CC(CCCN)C(=O)NC(c1ccc(F)cc1)C(C)(C)C.
What is the InChIKey of 5-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-methylpentanamide?
The InChIKey is QBMHTCVAEYFDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-12(6-5-11-19)16(21)20-15(17(2,3)4)13-7-9-14(18)10-8-13/h7-10,12,15H,5-6,11,19H2,1-4H3,(H,20,21).
What are the key properties of 5-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-methylpentanamide?
5-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-methylpentanamide has a molecular weight of 294.41 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-methylpentanamide is sourced from PubChem (CID 104684157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).