(E,5R)-5-hydroxy-N-methoxy-N-methyl-7-trityloxyhept-2-enamide

C28H31NO4 — CID 11015750

IUPAC(E,5R)-5-hydroxy-N-methoxy-N-methyl-7-trityloxyhept-2-enamide
SMILESCON(C)C(=O)/C=C/C[C@@H](O)CCOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H31NO4/c1-29(32-2)27(31)20-12-19-26(30)21-22-33-28(23-13-6-3-7-14-23,24-15-8-4-9-16-24)25-17-10-5-11-18-25/h3-18,20,26,30H,19,21-22H2,1-2H3/b20-12+/t26-/m1/s1
InChIKeyDSKWZBVLCDKFOX-ACDJESIYSA-N
MW445.56 g/mol
LogP4.71
Rot. Bonds11

About (E,5R)-5-hydroxy-N-methoxy-N-methyl-7-trityloxyhept-2-enamide

(E,5R)-5-hydroxy-N-methoxy-N-methyl-7-trityloxyhept-2-enamide (PubChem CID 11015750) has the molecular formula C28H31NO4 and a molecular weight of 445.56 g/mol. Its IUPAC name is (E,5R)-5-hydroxy-N-methoxy-N-methyl-7-trityloxyhept-2-enamide.

Molecular Properties

Compound Name(E,5R)-5-hydroxy-N-methoxy-N-methyl-7-trityloxyhept-2-enamide
PubChem CID11015750
Molecular FormulaC28H31NO4
Molecular Weight445.56 g/mol
Exact Mass445.23
IUPAC Name(E,5R)-5-hydroxy-N-methoxy-N-methyl-7-trityloxyhept-2-enamide
SMILESCON(C)C(=O)/C=C/C[C@@H](O)CCOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H31NO4/c1-29(32-2)27(31)20-12-19-26(30)21-22-33-28(23-13-6-3-7-14-23,24-15-8-4-9-16-24)25-17-10-5-11-18-25/h3-18,20,26,30H,19,21-22H2,1-2H3/b20-12+/t26-/m1/s1
InChIKeyDSKWZBVLCDKFOX-ACDJESIYSA-N
XLogP4.71
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-2-[5-hydroxy-3,3-bis(phenylmethoxymethyl)cyclohexylidene]acetamide
CID 123566695
N-methoxy-N-methyl-2-trityloxyacetamide
CID 87892977
N-methoxy-N-methyl-2-(4-phenylmethoxycyclohexylidene)acetamide
CID 132087934
5-(1-Hydroxyethyl)-4-methyl-1,6-bis(phenylmethoxy)pyridin-2-one
CID 138674977
methyl (5R)-5-hydroxy-7-trityloxyhept-2-enoate
CID 142681964
(2R)-4-hydroxy-N-methoxy-N,2-dimethyl-7-trityloxyheptanamide
CID 167099442
(E,5R,6S)-5-hydroxy-N-methoxy-N,6-dimethyl-7-phenylmethoxyhept-2-enamide
CID 11392645
(E,4R)-N-methoxy-N,4-dimethyl-5-trityloxypent-2-enamide
CID 11441413
(E,5S)-5-hydroxy-2-methyl-7-trityloxyhept-2-enal
CID 12969945
tert-butyl (2S,3R)-3-hydroxy-6-oxo-2-(trityloxymethyl)-2,3-dihydropyridine-1-carboxylate
CID 71817075

Frequently Asked Questions

What is the IUPAC name of (E,5R)-5-hydroxy-N-methoxy-N-methyl-7-trityloxyhept-2-enamide?
The IUPAC name of (E,5R)-5-hydroxy-N-methoxy-N-methyl-7-trityloxyhept-2-enamide (CID 11015750) is (E,5R)-5-hydroxy-N-methoxy-N-methyl-7-trityloxyhept-2-enamide.
What is the SMILES notation for (E,5R)-5-hydroxy-N-methoxy-N-methyl-7-trityloxyhept-2-enamide?
The canonical SMILES for (E,5R)-5-hydroxy-N-methoxy-N-methyl-7-trityloxyhept-2-enamide is CON(C)C(=O)/C=C/C[C@@H](O)CCOC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E,5R)-5-hydroxy-N-methoxy-N-methyl-7-trityloxyhept-2-enamide?
The InChIKey is DSKWZBVLCDKFOX-ACDJESIYSA-N. The full InChI is InChI=1S/C28H31NO4/c1-29(32-2)27(31)20-12-19-26(30)21-22-33-28(23-13-6-3-7-14-23,24-15-8-4-9-16-24)25-17-10-5-11-18-25/h3-18,20,26,30H,19,21-22H2,1-2H3/b20-12+/t26-/m1/s1.
What are the key properties of (E,5R)-5-hydroxy-N-methoxy-N-methyl-7-trityloxyhept-2-enamide?
(E,5R)-5-hydroxy-N-methoxy-N-methyl-7-trityloxyhept-2-enamide has a molecular weight of 445.56 g/mol, XLogP of 4.71, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5R)-5-hydroxy-N-methoxy-N-methyl-7-trityloxyhept-2-enamide is sourced from PubChem (CID 11015750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).