(2S,3R,4R,6S)-3-hydroxy-N,2-dimethoxy-N,4,6-trimethyl-7-trityloxyheptanamide

C31H39NO5 — CID 15139780

IUPAC(2S,3R,4R,6S)-3-hydroxy-N,2-dimethoxy-N,4,6-trimethyl-7-trityloxyheptanamide
SMILESCO[C@H](C(=O)N(C)OC)[C@H](O)[C@H](C)C[C@H](C)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H39NO5/c1-23(21-24(2)28(33)29(35-4)30(34)32(3)36-5)22-37-31(25-15-9-6-10-16-25,26-17-11-7-12-18-26)27-19-13-8-14-20-27/h6-20,23-24,28-29,33H,21-22H2,1-5H3/t23-,24+,28+,29-/m0/s1
InChIKeyIFHHZMVCZLFHRX-OTEJSBPHSA-N
MW505.66 g/mol
LogP5.05
Rot. Bonds13

About (2S,3R,4R,6S)-3-hydroxy-N,2-dimethoxy-N,4,6-trimethyl-7-trityloxyheptanamide

(2S,3R,4R,6S)-3-hydroxy-N,2-dimethoxy-N,4,6-trimethyl-7-trityloxyheptanamide (PubChem CID 15139780) has the molecular formula C31H39NO5 and a molecular weight of 505.66 g/mol. Its IUPAC name is (2S,3R,4R,6S)-3-hydroxy-N,2-dimethoxy-N,4,6-trimethyl-7-trityloxyheptanamide.

Molecular Properties

Compound Name(2S,3R,4R,6S)-3-hydroxy-N,2-dimethoxy-N,4,6-trimethyl-7-trityloxyheptanamide
PubChem CID15139780
Molecular FormulaC31H39NO5
Molecular Weight505.66 g/mol
Exact Mass505.28
IUPAC Name(2S,3R,4R,6S)-3-hydroxy-N,2-dimethoxy-N,4,6-trimethyl-7-trityloxyheptanamide
SMILESCO[C@H](C(=O)N(C)OC)[C@H](O)[C@H](C)C[C@H](C)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H39NO5/c1-23(21-24(2)28(33)29(35-4)30(34)32(3)36-5)22-37-31(25-15-9-6-10-16-25,26-17-11-7-12-18-26)27-19-13-8-14-20-27/h6-20,23-24,28-29,33H,21-22H2,1-5H3/t23-,24+,28+,29-/m0/s1
InChIKeyIFHHZMVCZLFHRX-OTEJSBPHSA-N
XLogP5.05
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.66
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(2S,3S)-N,3-dihydroxy-2,4-dimethyl-2-[(4-phenylphenyl)methoxy]pentanamide
CID 45254637
(2S,3S)-N,3-dihydroxy-2,5-dimethyl-2-[(4-phenylphenyl)methoxy]hexanamide
CID 70681061
(2S,3S)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]heptanamide
CID 70693660
(2S,3S)-N,3-dihydroxy-2-methyl-3-phenyl-2-[(4-phenylphenyl)methoxy]propanamide
CID 70693661
(2R,3S)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]pentanamide
CID 70693659
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N-methyl-5-phenyl-2-phenylmethoxypentanamide
CID 44478258
(2S,3S)-2-benzyl-3-hydroxy-N-methoxy-N-methyl-4-phenylmethoxybutanamide
CID 72189246
(2S,3R)-3-hydroxy-N-methoxy-N-methyl-5-phenyl-2-phenylmethoxypentanamide
CID 101488887
(2R,3R)-4-hydroxy-N-methoxy-N-methyl-4,4-diphenyl-2,3-bis(phenylmethoxy)butanamide
CID 134837605
N-(3-hexadecoxy-2-hydroxypropyl)-N-(2-trityloxyethyl)hexadecanamide
CID 14401295
2-Hydroxy-3-(N,N-dibutylcarbamoylmethoxy)-3,3-diphenylpropionic acid
CID 15427540
methyl 2-hydroxy-3-(N,N-dibutylcarbamoylmethoxy)-3,3-diphenylpropionate
CID 18675624

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,6S)-3-hydroxy-N,2-dimethoxy-N,4,6-trimethyl-7-trityloxyheptanamide?
The IUPAC name of (2S,3R,4R,6S)-3-hydroxy-N,2-dimethoxy-N,4,6-trimethyl-7-trityloxyheptanamide (CID 15139780) is (2S,3R,4R,6S)-3-hydroxy-N,2-dimethoxy-N,4,6-trimethyl-7-trityloxyheptanamide.
What is the SMILES notation for (2S,3R,4R,6S)-3-hydroxy-N,2-dimethoxy-N,4,6-trimethyl-7-trityloxyheptanamide?
The canonical SMILES for (2S,3R,4R,6S)-3-hydroxy-N,2-dimethoxy-N,4,6-trimethyl-7-trityloxyheptanamide is CO[C@H](C(=O)N(C)OC)[C@H](O)[C@H](C)C[C@H](C)COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,3R,4R,6S)-3-hydroxy-N,2-dimethoxy-N,4,6-trimethyl-7-trityloxyheptanamide?
The InChIKey is IFHHZMVCZLFHRX-OTEJSBPHSA-N. The full InChI is InChI=1S/C31H39NO5/c1-23(21-24(2)28(33)29(35-4)30(34)32(3)36-5)22-37-31(25-15-9-6-10-16-25,26-17-11-7-12-18-26)27-19-13-8-14-20-27/h6-20,23-24,28-29,33H,21-22H2,1-5H3/t23-,24+,28+,29-/m0/s1.
What are the key properties of (2S,3R,4R,6S)-3-hydroxy-N,2-dimethoxy-N,4,6-trimethyl-7-trityloxyheptanamide?
(2S,3R,4R,6S)-3-hydroxy-N,2-dimethoxy-N,4,6-trimethyl-7-trityloxyheptanamide has a molecular weight of 505.66 g/mol, XLogP of 5.05, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,6S)-3-hydroxy-N,2-dimethoxy-N,4,6-trimethyl-7-trityloxyheptanamide is sourced from PubChem (CID 15139780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).