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

C17H27FN2O — CID 60847374

IUPAC2-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NC(c1ccc(F)cc1)C(C)(C)C
InChIInChI=1S/C17H27FN2O/c1-6-11-17(5,19)15(21)20-14(16(2,3)4)12-7-9-13(18)10-8-12/h7-10,14H,6,11,19H2,1-5H3,(H,20,21)
InChIKeyBDUMWOSEYOMSJL-UHFFFAOYSA-N
MW294.41 g/mol
LogP3.55
Rot. Bonds5

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

2-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-methylpentanamide (PubChem CID 60847374) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is 2-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-methylpentanamide
PubChem CID60847374
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name2-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NC(c1ccc(F)cc1)C(C)(C)C
InChIInChI=1S/C17H27FN2O/c1-6-11-17(5,19)15(21)20-14(16(2,3)4)12-7-9-13(18)10-8-12/h7-10,14H,6,11,19H2,1-5H3,(H,20,21)
InChIKeyBDUMWOSEYOMSJL-UHFFFAOYSA-N
XLogP3.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpentanamide;hydrochloride
CID 119822525
2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-2-methylpentanamide
CID 63008242
2-amino-N-[1-(3,4-difluorophenyl)ethyl]-2-methylpentanamide
CID 60847704
(2S)-2-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]butanamide
CID 79024176
2-amino-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-methylpentanamide
CID 119745685
2-amino-N-[1-(2,4-difluorophenyl)propyl]-2-methylpentanamide;hydrochloride
CID 119796320
N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-oxobutanamide
CID 61249393
(2R)-2-amino-2-methyl-N-[(1R)-1-phenylethyl]pentanamide
CID 93340243
2-[(2-amino-2-methylpentanoyl)amino]-2-phenylacetic acid
CID 61158432
2-[[(1R)-1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]acetamide
CID 94197027
2-amino-N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide
CID 60847510
2-amino-N-[1-(3,5-dimethylphenyl)ethyl]-2-methylpentanamide;hydrochloride
CID 119778527

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-methylpentanamide?
The IUPAC name of 2-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-methylpentanamide (CID 60847374) is 2-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-methylpentanamide?
The canonical SMILES for 2-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-methylpentanamide is CCCC(C)(N)C(=O)NC(c1ccc(F)cc1)C(C)(C)C.
What is the InChIKey of 2-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-methylpentanamide?
The InChIKey is BDUMWOSEYOMSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-6-11-17(5,19)15(21)20-14(16(2,3)4)12-7-9-13(18)10-8-12/h7-10,14H,6,11,19H2,1-5H3,(H,20,21).
What are the key properties of 2-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-methylpentanamide?
2-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-methylpentanamide has a molecular weight of 294.41 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-methylpentanamide is sourced from PubChem (CID 60847374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).