(2R)-4-hydroxy-N-methoxy-N,2-dimethyl-7-trityloxyheptanamide

C29H35NO4 — CID 167099442

IUPAC(2R)-4-hydroxy-N-methoxy-N,2-dimethyl-7-trityloxyheptanamide
SMILESCON(C)C(=O)[C@H](C)CC(O)CCCOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H35NO4/c1-23(28(32)30(2)33-3)22-27(31)20-13-21-34-29(24-14-7-4-8-15-24,25-16-9-5-10-17-25)26-18-11-6-12-19-26/h4-12,14-19,23,27,31H,13,20-22H2,1-3H3/t23-,27?/m1/s1
InChIKeyBZNDVDIBMZUIMM-BRIWLPCBSA-N
MW461.60 g/mol
LogP5.18
Rot. Bonds12

About (2R)-4-hydroxy-N-methoxy-N,2-dimethyl-7-trityloxyheptanamide

(2R)-4-hydroxy-N-methoxy-N,2-dimethyl-7-trityloxyheptanamide (PubChem CID 167099442) has the molecular formula C29H35NO4 and a molecular weight of 461.60 g/mol. Its IUPAC name is (2R)-4-hydroxy-N-methoxy-N,2-dimethyl-7-trityloxyheptanamide.

Molecular Properties

Compound Name(2R)-4-hydroxy-N-methoxy-N,2-dimethyl-7-trityloxyheptanamide
PubChem CID167099442
Molecular FormulaC29H35NO4
Molecular Weight461.60 g/mol
Exact Mass461.26
IUPAC Name(2R)-4-hydroxy-N-methoxy-N,2-dimethyl-7-trityloxyheptanamide
SMILESCON(C)C(=O)[C@H](C)CC(O)CCCOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H35NO4/c1-23(28(32)30(2)33-3)22-27(31)20-13-21-34-29(24-14-7-4-8-15-24,25-16-9-5-10-17-25)26-18-11-6-12-19-26/h4-12,14-19,23,27,31H,13,20-22H2,1-3H3/t23-,27?/m1/s1
InChIKeyBZNDVDIBMZUIMM-BRIWLPCBSA-N
XLogP5.18
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.60
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-N-methoxy-N,2-dimethyl-7-trityloxyheptanamide?
The IUPAC name of (2R)-4-hydroxy-N-methoxy-N,2-dimethyl-7-trityloxyheptanamide (CID 167099442) is (2R)-4-hydroxy-N-methoxy-N,2-dimethyl-7-trityloxyheptanamide.
What is the SMILES notation for (2R)-4-hydroxy-N-methoxy-N,2-dimethyl-7-trityloxyheptanamide?
The canonical SMILES for (2R)-4-hydroxy-N-methoxy-N,2-dimethyl-7-trityloxyheptanamide is CON(C)C(=O)[C@H](C)CC(O)CCCOC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-4-hydroxy-N-methoxy-N,2-dimethyl-7-trityloxyheptanamide?
The InChIKey is BZNDVDIBMZUIMM-BRIWLPCBSA-N. The full InChI is InChI=1S/C29H35NO4/c1-23(28(32)30(2)33-3)22-27(31)20-13-21-34-29(24-14-7-4-8-15-24,25-16-9-5-10-17-25)26-18-11-6-12-19-26/h4-12,14-19,23,27,31H,13,20-22H2,1-3H3/t23-,27?/m1/s1.
What are the key properties of (2R)-4-hydroxy-N-methoxy-N,2-dimethyl-7-trityloxyheptanamide?
(2R)-4-hydroxy-N-methoxy-N,2-dimethyl-7-trityloxyheptanamide has a molecular weight of 461.60 g/mol, XLogP of 5.18, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-N-methoxy-N,2-dimethyl-7-trityloxyheptanamide is sourced from PubChem (CID 167099442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).