(4S,5S)-5-amino-4-hydroxy-N-(2-methylpropyl)-6-phenylhexanamide

C16H26N2O2 — CID 68900392

IUPAC(4S,5S)-5-amino-4-hydroxy-N-(2-methylpropyl)-6-phenylhexanamide
SMILESCC(C)CNC(=O)CC[C@H](O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C16H26N2O2/c1-12(2)11-18-16(20)9-8-15(19)14(17)10-13-6-4-3-5-7-13/h3-7,12,14-15,19H,8-11,17H2,1-2H3,(H,18,20)/t14-,15-/m0/s1
InChIKeyLYMOGNKGUUUOFI-GJZGRUSLSA-N
MW278.40 g/mol
LogP1.47
Rot. Bonds8

About (4S,5S)-5-amino-4-hydroxy-N-(2-methylpropyl)-6-phenylhexanamide

(4S,5S)-5-amino-4-hydroxy-N-(2-methylpropyl)-6-phenylhexanamide (PubChem CID 68900392) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (4S,5S)-5-amino-4-hydroxy-N-(2-methylpropyl)-6-phenylhexanamide.

Molecular Properties

Compound Name(4S,5S)-5-amino-4-hydroxy-N-(2-methylpropyl)-6-phenylhexanamide
PubChem CID68900392
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name(4S,5S)-5-amino-4-hydroxy-N-(2-methylpropyl)-6-phenylhexanamide
SMILESCC(C)CNC(=O)CC[C@H](O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C16H26N2O2/c1-12(2)11-18-16(20)9-8-15(19)14(17)10-13-6-4-3-5-7-13/h3-7,12,14-15,19H,8-11,17H2,1-2H3,(H,18,20)/t14-,15-/m0/s1
InChIKeyLYMOGNKGUUUOFI-GJZGRUSLSA-N
XLogP1.47
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-2-[[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]amino]-3-hydroxy-N-(2-methylpropyl)hexanamide;dihydrochloride
CID 69361052
4-amino-N-(2,3-diphenylpropyl)pentanamide
CID 120563401
N-(2-methylpropyl)-5-phenylpentanamide
CID 110297876
(2S)-2-[(3-amino-2-hydroxy-4-phenylbutyl)amino]-4-methylpentanoic acid
CID 57064467
2-[[(2R,3S)-3-amino-4-(3,5-difluorophenyl)-2-hydroxybutyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 151933691
N-[(2R)-2-amino-3-phenylpropyl]-2-phenylacetamide
CID 42645987
methyl (3S,4S)-4-amino-3-hydroxy-5-phenylpentanoate
CID 14453007
[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-(2-methylpropyl)carbamic acid
CID 68714572
benzyl N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]carbamate;hydrochloride
CID 69358558
(2R)-2-[[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]amino]-4-methyl-N-propylpentanamide
CID 175222967
(2R,4S)-5-amino-4-hydroxy-N-(2-hydroxyethyl)-2-(2-methylpropyl)-6-phenylhexanamide
CID 68900812
N-[(2S)-2-amino-3-methylbutyl]-2-phenylacetamide
CID 66969308

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-amino-4-hydroxy-N-(2-methylpropyl)-6-phenylhexanamide?
The IUPAC name of (4S,5S)-5-amino-4-hydroxy-N-(2-methylpropyl)-6-phenylhexanamide (CID 68900392) is (4S,5S)-5-amino-4-hydroxy-N-(2-methylpropyl)-6-phenylhexanamide.
What is the SMILES notation for (4S,5S)-5-amino-4-hydroxy-N-(2-methylpropyl)-6-phenylhexanamide?
The canonical SMILES for (4S,5S)-5-amino-4-hydroxy-N-(2-methylpropyl)-6-phenylhexanamide is CC(C)CNC(=O)CC[C@H](O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (4S,5S)-5-amino-4-hydroxy-N-(2-methylpropyl)-6-phenylhexanamide?
The InChIKey is LYMOGNKGUUUOFI-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(2)11-18-16(20)9-8-15(19)14(17)10-13-6-4-3-5-7-13/h3-7,12,14-15,19H,8-11,17H2,1-2H3,(H,18,20)/t14-,15-/m0/s1.
What are the key properties of (4S,5S)-5-amino-4-hydroxy-N-(2-methylpropyl)-6-phenylhexanamide?
(4S,5S)-5-amino-4-hydroxy-N-(2-methylpropyl)-6-phenylhexanamide has a molecular weight of 278.40 g/mol, XLogP of 1.47, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-amino-4-hydroxy-N-(2-methylpropyl)-6-phenylhexanamide is sourced from PubChem (CID 68900392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).