(2R,4S,5S)-5-amino-N-(3,3-dimethylbutyl)-4-hydroxy-2-methyl-6-phenylhexanamide

C19H32N2O2 — CID 68890142

IUPAC(2R,4S,5S)-5-amino-N-(3,3-dimethylbutyl)-4-hydroxy-2-methyl-6-phenylhexanamide
SMILESC[C@H](C[C@H](O)[C@@H](N)Cc1ccccc1)C(=O)NCCC(C)(C)C
InChIInChI=1S/C19H32N2O2/c1-14(18(23)21-11-10-19(2,3)4)12-17(22)16(20)13-15-8-6-5-7-9-15/h5-9,14,16-17,22H,10-13,20H2,1-4H3,(H,21,23)/t14-,16+,17+/m1/s1
InChIKeyJZHQPEXISCCREL-PVAVHDDUSA-N
MW320.48 g/mol
LogP2.50
Rot. Bonds8

About (2R,4S,5S)-5-amino-N-(3,3-dimethylbutyl)-4-hydroxy-2-methyl-6-phenylhexanamide

(2R,4S,5S)-5-amino-N-(3,3-dimethylbutyl)-4-hydroxy-2-methyl-6-phenylhexanamide (PubChem CID 68890142) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is (2R,4S,5S)-5-amino-N-(3,3-dimethylbutyl)-4-hydroxy-2-methyl-6-phenylhexanamide.

Molecular Properties

Compound Name(2R,4S,5S)-5-amino-N-(3,3-dimethylbutyl)-4-hydroxy-2-methyl-6-phenylhexanamide
PubChem CID68890142
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name(2R,4S,5S)-5-amino-N-(3,3-dimethylbutyl)-4-hydroxy-2-methyl-6-phenylhexanamide
SMILESC[C@H](C[C@H](O)[C@@H](N)Cc1ccccc1)C(=O)NCCC(C)(C)C
InChIInChI=1S/C19H32N2O2/c1-14(18(23)21-11-10-19(2,3)4)12-17(22)16(20)13-15-8-6-5-7-9-15/h5-9,14,16-17,22H,10-13,20H2,1-4H3,(H,21,23)/t14-,16+,17+/m1/s1
InChIKeyJZHQPEXISCCREL-PVAVHDDUSA-N
XLogP2.50
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide
CID 83306119
(2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide;hydrochloride
CID 119279534
(2R,4S)-5-amino-4-hydroxy-N-(2-hydroxyethyl)-2-(2-methylpropyl)-6-phenylhexanamide
CID 68900812
(2R)-2-benzyl-N-(3,3-dimethylbutyl)-4,4-dimethylpentanamide
CID 167585610
N-[(2S,3S,5R)-6-(3,3-dimethylbutylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]-3-methylsulfonylbenzamide
CID 58780868
(2R,4S,5S)-5-amino-4-hydroxy-2-methyl-N-(1,2-oxazol-3-yl)-6-phenylhexanamide
CID 68890744
(2R)-2-[[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]amino]-4-methyl-N-propylpentanamide
CID 175222967
2-(3,3-dimethylbutylcarbamoylamino)-3-phenylpropanoic acid
CID 61481285
[(2S)-1-[[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid
CID 68792623
N-[6-(3,3-dimethylbutylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]-3,5-bis(2-oxopyrrolidin-1-yl)benzamide
CID 22253046
(4S,5S)-5-amino-4-hydroxy-2-(hydroxymethyl)-N-methyl-6-phenylhexanamide
CID 57148272
(2S,3S,5R)-2,5-diamino-1,6-diphenylhexan-3-ol
CID 22885973

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5S)-5-amino-N-(3,3-dimethylbutyl)-4-hydroxy-2-methyl-6-phenylhexanamide?
The IUPAC name of (2R,4S,5S)-5-amino-N-(3,3-dimethylbutyl)-4-hydroxy-2-methyl-6-phenylhexanamide (CID 68890142) is (2R,4S,5S)-5-amino-N-(3,3-dimethylbutyl)-4-hydroxy-2-methyl-6-phenylhexanamide.
What is the SMILES notation for (2R,4S,5S)-5-amino-N-(3,3-dimethylbutyl)-4-hydroxy-2-methyl-6-phenylhexanamide?
The canonical SMILES for (2R,4S,5S)-5-amino-N-(3,3-dimethylbutyl)-4-hydroxy-2-methyl-6-phenylhexanamide is C[C@H](C[C@H](O)[C@@H](N)Cc1ccccc1)C(=O)NCCC(C)(C)C.
What is the InChIKey of (2R,4S,5S)-5-amino-N-(3,3-dimethylbutyl)-4-hydroxy-2-methyl-6-phenylhexanamide?
The InChIKey is JZHQPEXISCCREL-PVAVHDDUSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-14(18(23)21-11-10-19(2,3)4)12-17(22)16(20)13-15-8-6-5-7-9-15/h5-9,14,16-17,22H,10-13,20H2,1-4H3,(H,21,23)/t14-,16+,17+/m1/s1.
What are the key properties of (2R,4S,5S)-5-amino-N-(3,3-dimethylbutyl)-4-hydroxy-2-methyl-6-phenylhexanamide?
(2R,4S,5S)-5-amino-N-(3,3-dimethylbutyl)-4-hydroxy-2-methyl-6-phenylhexanamide has a molecular weight of 320.48 g/mol, XLogP of 2.50, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5S)-5-amino-N-(3,3-dimethylbutyl)-4-hydroxy-2-methyl-6-phenylhexanamide is sourced from PubChem (CID 68890142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).