N-[5-[(1R)-2-(dibenzylamino)-1-hydroxyethyl]-2-(2-trimethylsilylethoxymethoxy)phenyl]formamide

C29H38N2O4Si — CID 86606168

IUPACN-[5-[(1R)-2-(dibenzylamino)-1-hydroxyethyl]-2-(2-trimethylsilylethoxymethoxy)phenyl]formamide
SMILESC[Si](C)(C)CCOCOc1ccc([C@@H](O)CN(Cc2ccccc2)Cc2ccccc2)cc1NC=O
InChIInChI=1S/C29H38N2O4Si/c1-36(2,3)17-16-34-23-35-29-15-14-26(18-27(29)30-22-32)28(33)21-31(19-24-10-6-4-7-11-24)20-25-12-8-5-9-13-25/h4-15,18,22,28,33H,16-17,19-21,23H2,1-3H3,(H,30,32)/t28-/m0/s1
InChIKeyPCSNKRSVPOOSQZ-NDEPHWFRSA-N
MW506.72 g/mol
LogP5.68
Rot. Bonds15

About N-[5-[(1R)-2-(dibenzylamino)-1-hydroxyethyl]-2-(2-trimethylsilylethoxymethoxy)phenyl]formamide

N-[5-[(1R)-2-(dibenzylamino)-1-hydroxyethyl]-2-(2-trimethylsilylethoxymethoxy)phenyl]formamide (PubChem CID 86606168) has the molecular formula C29H38N2O4Si and a molecular weight of 506.72 g/mol. Its IUPAC name is N-[5-[(1R)-2-(dibenzylamino)-1-hydroxyethyl]-2-(2-trimethylsilylethoxymethoxy)phenyl]formamide.

Molecular Properties

Compound NameN-[5-[(1R)-2-(dibenzylamino)-1-hydroxyethyl]-2-(2-trimethylsilylethoxymethoxy)phenyl]formamide
PubChem CID86606168
Molecular FormulaC29H38N2O4Si
Molecular Weight506.72 g/mol
Exact Mass506.26
IUPAC NameN-[5-[(1R)-2-(dibenzylamino)-1-hydroxyethyl]-2-(2-trimethylsilylethoxymethoxy)phenyl]formamide
SMILESC[Si](C)(C)CCOCOc1ccc([C@@H](O)CN(Cc2ccccc2)Cc2ccccc2)cc1NC=O
InChIInChI=1S/C29H38N2O4Si/c1-36(2,3)17-16-34-23-35-29-15-14-26(18-27(29)30-22-32)28(33)21-31(19-24-10-6-4-7-11-24)20-25-12-8-5-9-13-25/h4-15,18,22,28,33H,16-17,19-21,23H2,1-3H3,(H,30,32)/t28-/m0/s1
InChIKeyPCSNKRSVPOOSQZ-NDEPHWFRSA-N
XLogP5.68
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.72
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(1R)-2-(dibenzylamino)-1-hydroxyethyl]-2-(2-trimethylsilylethoxymethoxy)phenyl]formamide?
The IUPAC name of N-[5-[(1R)-2-(dibenzylamino)-1-hydroxyethyl]-2-(2-trimethylsilylethoxymethoxy)phenyl]formamide (CID 86606168) is N-[5-[(1R)-2-(dibenzylamino)-1-hydroxyethyl]-2-(2-trimethylsilylethoxymethoxy)phenyl]formamide.
What is the SMILES notation for N-[5-[(1R)-2-(dibenzylamino)-1-hydroxyethyl]-2-(2-trimethylsilylethoxymethoxy)phenyl]formamide?
The canonical SMILES for N-[5-[(1R)-2-(dibenzylamino)-1-hydroxyethyl]-2-(2-trimethylsilylethoxymethoxy)phenyl]formamide is C[Si](C)(C)CCOCOc1ccc([C@@H](O)CN(Cc2ccccc2)Cc2ccccc2)cc1NC=O.
What is the InChIKey of N-[5-[(1R)-2-(dibenzylamino)-1-hydroxyethyl]-2-(2-trimethylsilylethoxymethoxy)phenyl]formamide?
The InChIKey is PCSNKRSVPOOSQZ-NDEPHWFRSA-N. The full InChI is InChI=1S/C29H38N2O4Si/c1-36(2,3)17-16-34-23-35-29-15-14-26(18-27(29)30-22-32)28(33)21-31(19-24-10-6-4-7-11-24)20-25-12-8-5-9-13-25/h4-15,18,22,28,33H,16-17,19-21,23H2,1-3H3,(H,30,32)/t28-/m0/s1.
What are the key properties of N-[5-[(1R)-2-(dibenzylamino)-1-hydroxyethyl]-2-(2-trimethylsilylethoxymethoxy)phenyl]formamide?
N-[5-[(1R)-2-(dibenzylamino)-1-hydroxyethyl]-2-(2-trimethylsilylethoxymethoxy)phenyl]formamide has a molecular weight of 506.72 g/mol, XLogP of 5.68, 15 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1R)-2-(dibenzylamino)-1-hydroxyethyl]-2-(2-trimethylsilylethoxymethoxy)phenyl]formamide is sourced from PubChem (CID 86606168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).