3-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5,5-dimethylhexanamide

C17H28N2O2 — CID 107863107

IUPAC3-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5,5-dimethylhexanamide
SMILESCC(C)(C)CC(N)CC(=O)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C17H28N2O2/c1-17(2,3)11-14(18)10-16(21)19-15(12-20)9-13-7-5-4-6-8-13/h4-8,14-15,20H,9-12,18H2,1-3H3,(H,19,21)/t14?,15-/m0/s1
InChIKeyRSOOHLZHDKQXPT-LOACHALJSA-N
MW292.42 g/mol
LogP1.86
Rot. Bonds7

About 3-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5,5-dimethylhexanamide

3-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5,5-dimethylhexanamide (PubChem CID 107863107) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 3-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5,5-dimethylhexanamide.

Molecular Properties

Compound Name3-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5,5-dimethylhexanamide
PubChem CID107863107
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name3-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5,5-dimethylhexanamide
SMILESCC(C)(C)CC(N)CC(=O)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C17H28N2O2/c1-17(2,3)11-14(18)10-16(21)19-15(12-20)9-13-7-5-4-6-8-13/h4-8,14-15,20H,9-12,18H2,1-3H3,(H,19,21)/t14?,15-/m0/s1
InChIKeyRSOOHLZHDKQXPT-LOACHALJSA-N
XLogP1.86
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
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-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3,4,4-trimethylpentanamide
CID 107861443
4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylbutanamide
CID 114010279
(3R)-3-amino-4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
CID 18341314
4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-2,2-dimethyl-4-oxobutanoic acid
CID 107862064
N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
CID 102096047
2-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide
CID 15660575
6-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-4,4-dimethylhexanamide
CID 65291089
2-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
CID 107861017
tert-butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate;sulfane
CID 159653133
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

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5,5-dimethylhexanamide?
The IUPAC name of 3-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5,5-dimethylhexanamide (CID 107863107) is 3-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5,5-dimethylhexanamide.
What is the SMILES notation for 3-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5,5-dimethylhexanamide?
The canonical SMILES for 3-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5,5-dimethylhexanamide is CC(C)(C)CC(N)CC(=O)N[C@H](CO)Cc1ccccc1.
What is the InChIKey of 3-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5,5-dimethylhexanamide?
The InChIKey is RSOOHLZHDKQXPT-LOACHALJSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-17(2,3)11-14(18)10-16(21)19-15(12-20)9-13-7-5-4-6-8-13/h4-8,14-15,20H,9-12,18H2,1-3H3,(H,19,21)/t14?,15-/m0/s1.
What are the key properties of 3-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5,5-dimethylhexanamide?
3-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5,5-dimethylhexanamide has a molecular weight of 292.42 g/mol, XLogP of 1.86, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5,5-dimethylhexanamide is sourced from PubChem (CID 107863107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).