(2S,4S,5S)-5-amino-2-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-6-phenylhexanamide

C21H26N2O2 — CID 68898958

IUPAC(2S,4S,5S)-5-amino-2-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-6-phenylhexanamide
SMILESNC(=O)[C@@H](C[C@H](O)[C@@H](N)Cc1ccccc1)C1Cc2ccccc2C1
InChIInChI=1S/C21H26N2O2/c22-19(10-14-6-2-1-3-7-14)20(24)13-18(21(23)25)17-11-15-8-4-5-9-16(15)12-17/h1-9,17-20,24H,10-13,22H2,(H2,23,25)/t18-,19-,20-/m0/s1
InChIKeyBQBWNGNJSAQPDK-UFYCRDLUSA-N
MW338.45 g/mol
LogP1.82
Rot. Bonds7

About (2S,4S,5S)-5-amino-2-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-6-phenylhexanamide

(2S,4S,5S)-5-amino-2-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-6-phenylhexanamide (PubChem CID 68898958) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (2S,4S,5S)-5-amino-2-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-6-phenylhexanamide.

Molecular Properties

Compound Name(2S,4S,5S)-5-amino-2-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-6-phenylhexanamide
PubChem CID68898958
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(2S,4S,5S)-5-amino-2-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-6-phenylhexanamide
SMILESNC(=O)[C@@H](C[C@H](O)[C@@H](N)Cc1ccccc1)C1Cc2ccccc2C1
InChIInChI=1S/C21H26N2O2/c22-19(10-14-6-2-1-3-7-14)20(24)13-18(21(23)25)17-11-15-8-4-5-9-16(15)12-17/h1-9,17-20,24H,10-13,22H2,(H2,23,25)/t18-,19-,20-/m0/s1
InChIKeyBQBWNGNJSAQPDK-UFYCRDLUSA-N
XLogP1.82
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S,5R)-2,5-diamino-1,6-diphenylhexan-3-ol
CID 22885973
[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl] carbamate
CID 69257317
(2S,3S)-3-amino-2-hydroxy-4-phenylbutanamide
CID 57194593
(2S,4S,5S)-5-amino-4-hydroxy-2-(1-hydroxy-4,4-dimethylcyclohexyl)-6-phenylhexanamide
CID 68897246
5-amino-2-(4,4-difluorocyclohexyl)-4-hydroxy-6-[3-(2-hydroxypropan-2-yl)phenyl]hexanamide
CID 68900664
(2R,3S)-3-amino-1-[(4R)-4-methyl-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-4-phenylbutan-2-ol
CID 58255718
(2S,3R)-3-amino-4-phenylbutane-1,2-diol
CID 11789833
(2R,4S,5S)-5-amino-2-benzyl-6-(4-fluorophenyl)-4-hydroxyhexanoic acid
CID 22874192
(2R,3R)-3-amino-1-chloro-4-phenylbutan-2-ol
CID 89399982
(2S,3S)-3-amino-4-phenylbutane-1,2-diol;hydrochloride
CID 139714865
(3R,4S)-4-amino-3-hydroxy-5-phenylpentanenitrile
CID 70364729
2-phenyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 65404384

Frequently Asked Questions

What is the IUPAC name of (2S,4S,5S)-5-amino-2-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-6-phenylhexanamide?
The IUPAC name of (2S,4S,5S)-5-amino-2-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-6-phenylhexanamide (CID 68898958) is (2S,4S,5S)-5-amino-2-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-6-phenylhexanamide.
What is the SMILES notation for (2S,4S,5S)-5-amino-2-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-6-phenylhexanamide?
The canonical SMILES for (2S,4S,5S)-5-amino-2-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-6-phenylhexanamide is NC(=O)[C@@H](C[C@H](O)[C@@H](N)Cc1ccccc1)C1Cc2ccccc2C1.
What is the InChIKey of (2S,4S,5S)-5-amino-2-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-6-phenylhexanamide?
The InChIKey is BQBWNGNJSAQPDK-UFYCRDLUSA-N. The full InChI is InChI=1S/C21H26N2O2/c22-19(10-14-6-2-1-3-7-14)20(24)13-18(21(23)25)17-11-15-8-4-5-9-16(15)12-17/h1-9,17-20,24H,10-13,22H2,(H2,23,25)/t18-,19-,20-/m0/s1.
What are the key properties of (2S,4S,5S)-5-amino-2-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-6-phenylhexanamide?
(2S,4S,5S)-5-amino-2-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-6-phenylhexanamide has a molecular weight of 338.45 g/mol, XLogP of 1.82, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5S)-5-amino-2-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-6-phenylhexanamide is sourced from PubChem (CID 68898958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).