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

C18H30N2O3 — CID 68900812

IUPAC(2R,4S)-5-amino-4-hydroxy-N-(2-hydroxyethyl)-2-(2-methylpropyl)-6-phenylhexanamide
SMILESCC(C)C[C@H](C[C@H](O)C(N)Cc1ccccc1)C(=O)NCCO
InChIInChI=1S/C18H30N2O3/c1-13(2)10-15(18(23)20-8-9-21)12-17(22)16(19)11-14-6-4-3-5-7-14/h3-7,13,15-17,21-22H,8-12,19H2,1-2H3,(H,20,23)/t15-,16?,17+/m1/s1
InChIKeyVORLSOHSDLICEK-SKQWJGTPSA-N
MW322.45 g/mol
LogP1.08
Rot. Bonds10

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

(2R,4S)-5-amino-4-hydroxy-N-(2-hydroxyethyl)-2-(2-methylpropyl)-6-phenylhexanamide (PubChem CID 68900812) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is (2R,4S)-5-amino-4-hydroxy-N-(2-hydroxyethyl)-2-(2-methylpropyl)-6-phenylhexanamide.

Molecular Properties

Compound Name(2R,4S)-5-amino-4-hydroxy-N-(2-hydroxyethyl)-2-(2-methylpropyl)-6-phenylhexanamide
PubChem CID68900812
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name(2R,4S)-5-amino-4-hydroxy-N-(2-hydroxyethyl)-2-(2-methylpropyl)-6-phenylhexanamide
SMILESCC(C)C[C@H](C[C@H](O)C(N)Cc1ccccc1)C(=O)NCCO
InChIInChI=1S/C18H30N2O3/c1-13(2)10-15(18(23)20-8-9-21)12-17(22)16(19)11-14-6-4-3-5-7-14/h3-7,13,15-17,21-22H,8-12,19H2,1-2H3,(H,20,23)/t15-,16?,17+/m1/s1
InChIKeyVORLSOHSDLICEK-SKQWJGTPSA-N
XLogP1.08
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(4S,5S)-5-amino-4-hydroxy-2-(hydroxymethyl)-N-methyl-6-phenylhexanamide
CID 57148272
(2R,4S,5S)-5-amino-N-(3,3-dimethylbutyl)-4-hydroxy-2-methyl-6-phenylhexanamide
CID 68890142
(2R)-2-[[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]amino]-4-methyl-N-propylpentanamide
CID 175222967
(2S)-2-[(3-amino-2-hydroxy-4-phenylbutyl)amino]-4-methylpentanoic acid
CID 57064467
(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-4-methylpentanamide
CID 13055249
(2S,3R,4S)-2-amino-6-methyl-1-phenylheptane-3,4-diol
CID 10585964
(4S,5S)-5-amino-4-hydroxy-N-(2-methylpropyl)-6-phenylhexanamide
CID 68900392
(2S,3R)-3-amino-N-[(3S)-2,5-dimethylhexan-3-yl]-2-hydroxy-4-phenylbutanamide
CID 155326285
(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoic acid;2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoic acid
CID 121452393
6-amino-5-hydroxy-2-(2-methylpropyl)-4-oxo-7-phenylheptanoic acid
CID 21125904
(2S,3S,5R)-2,5-diamino-1,6-diphenylhexan-3-ol
CID 22885973
(2R,4S,5S)-5-amino-2-benzyl-6-(4-fluorophenyl)-4-hydroxyhexanoic acid
CID 22874192

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-5-amino-4-hydroxy-N-(2-hydroxyethyl)-2-(2-methylpropyl)-6-phenylhexanamide?
The IUPAC name of (2R,4S)-5-amino-4-hydroxy-N-(2-hydroxyethyl)-2-(2-methylpropyl)-6-phenylhexanamide (CID 68900812) is (2R,4S)-5-amino-4-hydroxy-N-(2-hydroxyethyl)-2-(2-methylpropyl)-6-phenylhexanamide.
What is the SMILES notation for (2R,4S)-5-amino-4-hydroxy-N-(2-hydroxyethyl)-2-(2-methylpropyl)-6-phenylhexanamide?
The canonical SMILES for (2R,4S)-5-amino-4-hydroxy-N-(2-hydroxyethyl)-2-(2-methylpropyl)-6-phenylhexanamide is CC(C)C[C@H](C[C@H](O)C(N)Cc1ccccc1)C(=O)NCCO.
What is the InChIKey of (2R,4S)-5-amino-4-hydroxy-N-(2-hydroxyethyl)-2-(2-methylpropyl)-6-phenylhexanamide?
The InChIKey is VORLSOHSDLICEK-SKQWJGTPSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-13(2)10-15(18(23)20-8-9-21)12-17(22)16(19)11-14-6-4-3-5-7-14/h3-7,13,15-17,21-22H,8-12,19H2,1-2H3,(H,20,23)/t15-,16?,17+/m1/s1.
What are the key properties of (2R,4S)-5-amino-4-hydroxy-N-(2-hydroxyethyl)-2-(2-methylpropyl)-6-phenylhexanamide?
(2R,4S)-5-amino-4-hydroxy-N-(2-hydroxyethyl)-2-(2-methylpropyl)-6-phenylhexanamide has a molecular weight of 322.45 g/mol, XLogP of 1.08, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-5-amino-4-hydroxy-N-(2-hydroxyethyl)-2-(2-methylpropyl)-6-phenylhexanamide is sourced from PubChem (CID 68900812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).