(2R)-2-amino-6-chloro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylhexanamide

C16H25ClN2O2 — CID 102065925

IUPAC(2R)-2-amino-6-chloro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylhexanamide
SMILESC[C@@H]([C@@H](O)c1ccccc1)N(C)C(=O)[C@H](N)CCCCCl
InChIInChI=1S/C16H25ClN2O2/c1-12(15(20)13-8-4-3-5-9-13)19(2)16(21)14(18)10-6-7-11-17/h3-5,8-9,12,14-15,20H,6-7,10-11,18H2,1-2H3/t12-,14+,15+/m0/s1
InChIKeyRUXWHSOQHYAHSO-NWANDNLSSA-N
MW312.84 g/mol
LogP2.30
Rot. Bonds8

About (2R)-2-amino-6-chloro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylhexanamide

(2R)-2-amino-6-chloro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylhexanamide (PubChem CID 102065925) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is (2R)-2-amino-6-chloro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylhexanamide.

Molecular Properties

Compound Name(2R)-2-amino-6-chloro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylhexanamide
PubChem CID102065925
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name(2R)-2-amino-6-chloro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylhexanamide
SMILESC[C@@H]([C@@H](O)c1ccccc1)N(C)C(=O)[C@H](N)CCCCCl
InChIInChI=1S/C16H25ClN2O2/c1-12(15(20)13-8-4-3-5-9-13)19(2)16(21)14(18)10-6-7-11-17/h3-5,8-9,12,14-15,20H,6-7,10-11,18H2,1-2H3/t12-,14+,15+/m0/s1
InChIKeyRUXWHSOQHYAHSO-NWANDNLSSA-N
XLogP2.30
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
CID 102065194
2-(3-chloropropyl)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpent-4-enamide
CID 67252130
(2R)-2-amino-3-[dimethyl(phenyl)silyl]-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylpropanamide
CID 2755269
(2R,3R)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylpentanamide
CID 100922135
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
CID 11138684
2-amino-N-methyl-N-(1-phenylethyl)pentanamide;hydrochloride
CID 119271101
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylpent-4-enamide
CID 118867302
(2R)-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylpent-4-enamide
CID 118867301
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide;N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide
CID 158962259
(2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-2-(3-iodopropyl)-N-methylpent-4-enamide
CID 89060365
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-phenylacetamide
CID 54856748
(2S,3S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2,4,4-tetramethyl-3-phenylpentanamide
CID 102384841

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-6-chloro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylhexanamide?
The IUPAC name of (2R)-2-amino-6-chloro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylhexanamide (CID 102065925) is (2R)-2-amino-6-chloro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylhexanamide.
What is the SMILES notation for (2R)-2-amino-6-chloro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylhexanamide?
The canonical SMILES for (2R)-2-amino-6-chloro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylhexanamide is C[C@@H]([C@@H](O)c1ccccc1)N(C)C(=O)[C@H](N)CCCCCl.
What is the InChIKey of (2R)-2-amino-6-chloro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylhexanamide?
The InChIKey is RUXWHSOQHYAHSO-NWANDNLSSA-N. The full InChI is InChI=1S/C16H25ClN2O2/c1-12(15(20)13-8-4-3-5-9-13)19(2)16(21)14(18)10-6-7-11-17/h3-5,8-9,12,14-15,20H,6-7,10-11,18H2,1-2H3/t12-,14+,15+/m0/s1.
What are the key properties of (2R)-2-amino-6-chloro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylhexanamide?
(2R)-2-amino-6-chloro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylhexanamide has a molecular weight of 312.84 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-6-chloro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylhexanamide is sourced from PubChem (CID 102065925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).