5-amino-N-(2,2-dimethyl-1-phenylpropyl)hexanamide

C17H28N2O — CID 82848318

IUPAC5-amino-N-(2,2-dimethyl-1-phenylpropyl)hexanamide
SMILESCC(N)CCCC(=O)NC(c1ccccc1)C(C)(C)C
InChIInChI=1S/C17H28N2O/c1-13(18)9-8-12-15(20)19-16(17(2,3)4)14-10-6-5-7-11-14/h5-7,10-11,13,16H,8-9,12,18H2,1-4H3,(H,19,20)
InChIKeyUWMUGIMNIMSVMK-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.41
Rot. Bonds6

About 5-amino-N-(2,2-dimethyl-1-phenylpropyl)hexanamide

5-amino-N-(2,2-dimethyl-1-phenylpropyl)hexanamide (PubChem CID 82848318) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 5-amino-N-(2,2-dimethyl-1-phenylpropyl)hexanamide.

Molecular Properties

Compound Name5-amino-N-(2,2-dimethyl-1-phenylpropyl)hexanamide
PubChem CID82848318
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name5-amino-N-(2,2-dimethyl-1-phenylpropyl)hexanamide
SMILESCC(N)CCCC(=O)NC(c1ccccc1)C(C)(C)C
InChIInChI=1S/C17H28N2O/c1-13(18)9-8-12-15(20)19-16(17(2,3)4)14-10-6-5-7-11-14/h5-7,10-11,13,16H,8-9,12,18H2,1-4H3,(H,19,20)
InChIKeyUWMUGIMNIMSVMK-UHFFFAOYSA-N
XLogP3.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(2,2-dimethyl-1-phenylpropyl)butanamide
CID 60836669
methyl 2-(5-aminohexanoylamino)-2-phenylacetate
CID 82851192
5-amino-N-[2-(dimethylamino)-1-phenylethyl]hexanamide
CID 82851272
4-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]pentanamide;hydrochloride
CID 120562152
N-(2,2-dimethyl-1-phenylpropyl)-2-(methylamino)acetamide
CID 43705369
(2S)-2-amino-N-(2,2-dimethyl-1-phenylpropyl)propanamide;hydrochloride
CID 119290104
5-amino-N-(1-hydroxy-3-phenylpropan-2-yl)hexanamide
CID 82851763
5-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]hexanamide
CID 107860949
4-methyl-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]pentanamide
CID 52652867
5-amino-N-(2-methyl-1-thiophen-2-ylpropyl)hexanamide
CID 82848158
N-(2,2-dimethyl-1-phenylpropyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 86829051
4-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide
CID 83176722

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,2-dimethyl-1-phenylpropyl)hexanamide?
The IUPAC name of 5-amino-N-(2,2-dimethyl-1-phenylpropyl)hexanamide (CID 82848318) is 5-amino-N-(2,2-dimethyl-1-phenylpropyl)hexanamide.
What is the SMILES notation for 5-amino-N-(2,2-dimethyl-1-phenylpropyl)hexanamide?
The canonical SMILES for 5-amino-N-(2,2-dimethyl-1-phenylpropyl)hexanamide is CC(N)CCCC(=O)NC(c1ccccc1)C(C)(C)C.
What is the InChIKey of 5-amino-N-(2,2-dimethyl-1-phenylpropyl)hexanamide?
The InChIKey is UWMUGIMNIMSVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(18)9-8-12-15(20)19-16(17(2,3)4)14-10-6-5-7-11-14/h5-7,10-11,13,16H,8-9,12,18H2,1-4H3,(H,19,20).
What are the key properties of 5-amino-N-(2,2-dimethyl-1-phenylpropyl)hexanamide?
5-amino-N-(2,2-dimethyl-1-phenylpropyl)hexanamide has a molecular weight of 276.42 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,2-dimethyl-1-phenylpropyl)hexanamide is sourced from PubChem (CID 82848318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).