6-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-4,4-dimethylhexanamide

C17H28N2O2 — CID 65291089

IUPAC6-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-4,4-dimethylhexanamide
SMILESCC(C)(CCN)CCC(=O)NC(CO)Cc1ccccc1
InChIInChI=1S/C17H28N2O2/c1-17(2,10-11-18)9-8-16(21)19-15(13-20)12-14-6-4-3-5-7-14/h3-7,15,20H,8-13,18H2,1-2H3,(H,19,21)
InChIKeyHNGPFJFFIJBVEO-UHFFFAOYSA-N
MW292.42 g/mol
LogP1.86
Rot. Bonds9

About 6-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-4,4-dimethylhexanamide

6-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-4,4-dimethylhexanamide (PubChem CID 65291089) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 6-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-4,4-dimethylhexanamide.

Molecular Properties

Compound Name6-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-4,4-dimethylhexanamide
PubChem CID65291089
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name6-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-4,4-dimethylhexanamide
SMILESCC(C)(CCN)CCC(=O)NC(CO)Cc1ccccc1
InChIInChI=1S/C17H28N2O2/c1-17(2,10-11-18)9-8-16(21)19-15(13-20)12-14-6-4-3-5-7-14/h3-7,15,20H,8-13,18H2,1-2H3,(H,19,21)
InChIKeyHNGPFJFFIJBVEO-UHFFFAOYSA-N
XLogP1.86
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
CID 102096047
6-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylhexanamide
CID 107863098
6-amino-N-[(2S)-1-hydroxybutan-2-yl]-4,4-dimethylhexanamide
CID 107222403
3-(dimethylamino)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]propanamide
CID 107861208
4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-2,2-dimethyl-4-oxobutanoic acid
CID 107862064
2-[(6-amino-4,4-dimethylhexanoyl)amino]-2-phenylacetic acid
CID 65292247
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
2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-2-methylpentanamide
CID 63261623
2-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide
CID 15660575
3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]propanamide
CID 95040090
3-acetamido-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide
CID 63260698

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-4,4-dimethylhexanamide?
The IUPAC name of 6-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-4,4-dimethylhexanamide (CID 65291089) is 6-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-4,4-dimethylhexanamide.
What is the SMILES notation for 6-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-4,4-dimethylhexanamide?
The canonical SMILES for 6-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-4,4-dimethylhexanamide is CC(C)(CCN)CCC(=O)NC(CO)Cc1ccccc1.
What is the InChIKey of 6-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-4,4-dimethylhexanamide?
The InChIKey is HNGPFJFFIJBVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-17(2,10-11-18)9-8-16(21)19-15(13-20)12-14-6-4-3-5-7-14/h3-7,15,20H,8-13,18H2,1-2H3,(H,19,21).
What are the key properties of 6-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-4,4-dimethylhexanamide?
6-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-4,4-dimethylhexanamide has a molecular weight of 292.42 g/mol, XLogP of 1.86, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-4,4-dimethylhexanamide is sourced from PubChem (CID 65291089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).