N-[(2R,3R,4S,5R)-5-hydroxy-1-oxo-3,4-bis(phenylmethoxy)hexan-2-yl]acetamide

C22H27NO5 — CID 18610472

IUPACN-[(2R,3R,4S,5R)-5-hydroxy-1-oxo-3,4-bis(phenylmethoxy)hexan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C=O)[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H](C)O
InChIInChI=1S/C22H27NO5/c1-16(25)21(27-14-18-9-5-3-6-10-18)22(20(13-24)23-17(2)26)28-15-19-11-7-4-8-12-19/h3-13,16,20-22,25H,14-15H2,1-2H3,(H,23,26)/t16-,20+,21+,22-/m1/s1
InChIKeyAMGYHKKGWMZJHK-YPVJZLTNSA-N
MW385.46 g/mol
LogP2.24
Rot. Bonds11

About N-[(2R,3R,4S,5R)-5-hydroxy-1-oxo-3,4-bis(phenylmethoxy)hexan-2-yl]acetamide

N-[(2R,3R,4S,5R)-5-hydroxy-1-oxo-3,4-bis(phenylmethoxy)hexan-2-yl]acetamide (PubChem CID 18610472) has the molecular formula C22H27NO5 and a molecular weight of 385.46 g/mol. Its IUPAC name is N-[(2R,3R,4S,5R)-5-hydroxy-1-oxo-3,4-bis(phenylmethoxy)hexan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3R,4S,5R)-5-hydroxy-1-oxo-3,4-bis(phenylmethoxy)hexan-2-yl]acetamide
PubChem CID18610472
Molecular FormulaC22H27NO5
Molecular Weight385.46 g/mol
Exact Mass385.19
IUPAC NameN-[(2R,3R,4S,5R)-5-hydroxy-1-oxo-3,4-bis(phenylmethoxy)hexan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C=O)[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H](C)O
InChIInChI=1S/C22H27NO5/c1-16(25)21(27-14-18-9-5-3-6-10-18)22(20(13-24)23-17(2)26)28-15-19-11-7-4-8-12-19/h3-13,16,20-22,25H,14-15H2,1-2H3,(H,23,26)/t16-,20+,21+,22-/m1/s1
InChIKeyAMGYHKKGWMZJHK-YPVJZLTNSA-N
XLogP2.24
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,4R,5S)-5-hydroxy-2,3,4-tris(phenylmethoxy)hexanal
CID 18610492
N-(3-hydroxy-4-phenylmethoxypentan-2-yl)acetamide
CID 123756528
(2R,3S,4S,5R)-5-hydroxy-2,3,4-tris(phenylmethoxy)hexanoyl fluoride
CID 90726684
(2R,3S,4S,5R)-2,3,4-tris(phenylmethoxy)hexane-1,5-diol
CID 11048386
N-(1-phenyl-2-phenylmethoxyethyl)acetamide
CID 75373023
(4S,5R)-4-hydroxy-6-methyl-5-phenylmethoxyheptan-2-one
CID 102255359
(E,4R,5S)-5-hydroxy-4-phenylmethoxyhex-2-enoic acid
CID 11139101
[(1S)-1-phenylmethoxyethyl] acetate
CID 10965388
(2S,3R)-3-phenylmethoxypent-4-en-2-ol
CID 73332888
4-hydroxy-2-phenylmethoxypentanal
CID 150721664
(3S,4S,5S)-5-hydroxy-1-phenyl-3,4-bis(phenylmethoxy)hexan-1-one
CID 10024186
(2S,4S)-2-methyl-4-phenylmethoxypentanal
CID 10632107

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4S,5R)-5-hydroxy-1-oxo-3,4-bis(phenylmethoxy)hexan-2-yl]acetamide?
The IUPAC name of N-[(2R,3R,4S,5R)-5-hydroxy-1-oxo-3,4-bis(phenylmethoxy)hexan-2-yl]acetamide (CID 18610472) is N-[(2R,3R,4S,5R)-5-hydroxy-1-oxo-3,4-bis(phenylmethoxy)hexan-2-yl]acetamide.
What is the SMILES notation for N-[(2R,3R,4S,5R)-5-hydroxy-1-oxo-3,4-bis(phenylmethoxy)hexan-2-yl]acetamide?
The canonical SMILES for N-[(2R,3R,4S,5R)-5-hydroxy-1-oxo-3,4-bis(phenylmethoxy)hexan-2-yl]acetamide is CC(=O)N[C@@H](C=O)[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H](C)O.
What is the InChIKey of N-[(2R,3R,4S,5R)-5-hydroxy-1-oxo-3,4-bis(phenylmethoxy)hexan-2-yl]acetamide?
The InChIKey is AMGYHKKGWMZJHK-YPVJZLTNSA-N. The full InChI is InChI=1S/C22H27NO5/c1-16(25)21(27-14-18-9-5-3-6-10-18)22(20(13-24)23-17(2)26)28-15-19-11-7-4-8-12-19/h3-13,16,20-22,25H,14-15H2,1-2H3,(H,23,26)/t16-,20+,21+,22-/m1/s1.
What are the key properties of N-[(2R,3R,4S,5R)-5-hydroxy-1-oxo-3,4-bis(phenylmethoxy)hexan-2-yl]acetamide?
N-[(2R,3R,4S,5R)-5-hydroxy-1-oxo-3,4-bis(phenylmethoxy)hexan-2-yl]acetamide has a molecular weight of 385.46 g/mol, XLogP of 2.24, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,4S,5R)-5-hydroxy-1-oxo-3,4-bis(phenylmethoxy)hexan-2-yl]acetamide is sourced from PubChem (CID 18610472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).