N-[[1-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dichlorophenyl]pyrrol-2-yl]methyl]butanamide

C32H36Cl2N2O2Si — CID 18321822

IUPACN-[[1-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dichlorophenyl]pyrrol-2-yl]methyl]butanamide
SMILESCCCC(=O)NCc1cccn1-c1ccc(Cl)c(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c1Cl
InChIInChI=1S/C32H36Cl2N2O2Si/c1-5-13-30(37)35-22-24-14-12-21-36(24)29-20-19-28(33)27(31(29)34)23-38-39(32(2,3)4,25-15-8-6-9-16-25)26-17-10-7-11-18-26/h6-12,14-21H,5,13,22-23H2,1-4H3,(H,35,37)
InChIKeyJQTCDEMAZGZSOC-UHFFFAOYSA-N
MW579.64 g/mol
LogP7.28
Rot. Bonds10

About N-[[1-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dichlorophenyl]pyrrol-2-yl]methyl]butanamide

N-[[1-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dichlorophenyl]pyrrol-2-yl]methyl]butanamide (PubChem CID 18321822) has the molecular formula C32H36Cl2N2O2Si and a molecular weight of 579.64 g/mol. Its IUPAC name is N-[[1-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dichlorophenyl]pyrrol-2-yl]methyl]butanamide.

Molecular Properties

Compound NameN-[[1-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dichlorophenyl]pyrrol-2-yl]methyl]butanamide
PubChem CID18321822
Molecular FormulaC32H36Cl2N2O2Si
Molecular Weight579.64 g/mol
Exact Mass578.19
IUPAC NameN-[[1-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dichlorophenyl]pyrrol-2-yl]methyl]butanamide
SMILESCCCC(=O)NCc1cccn1-c1ccc(Cl)c(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c1Cl
InChIInChI=1S/C32H36Cl2N2O2Si/c1-5-13-30(37)35-22-24-14-12-21-36(24)29-20-19-28(33)27(31(29)34)23-38-39(32(2,3)4,25-15-8-6-9-16-25)26-17-10-7-11-18-26/h6-12,14-21H,5,13,22-23H2,1-4H3,(H,35,37)
InChIKeyJQTCDEMAZGZSOC-UHFFFAOYSA-N
XLogP7.28
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.64
LogP ≤ 57.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[1-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dichlorophenyl]pyrrol-2-yl]methyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dichlorophenyl]pyrrol-2-yl]methyl]butanamide?
The IUPAC name of N-[[1-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dichlorophenyl]pyrrol-2-yl]methyl]butanamide (CID 18321822) is N-[[1-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dichlorophenyl]pyrrol-2-yl]methyl]butanamide.
What is the SMILES notation for N-[[1-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dichlorophenyl]pyrrol-2-yl]methyl]butanamide?
The canonical SMILES for N-[[1-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dichlorophenyl]pyrrol-2-yl]methyl]butanamide is CCCC(=O)NCc1cccn1-c1ccc(Cl)c(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c1Cl.
What is the InChIKey of N-[[1-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dichlorophenyl]pyrrol-2-yl]methyl]butanamide?
The InChIKey is JQTCDEMAZGZSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36Cl2N2O2Si/c1-5-13-30(37)35-22-24-14-12-21-36(24)29-20-19-28(33)27(31(29)34)23-38-39(32(2,3)4,25-15-8-6-9-16-25)26-17-10-7-11-18-26/h6-12,14-21H,5,13,22-23H2,1-4H3,(H,35,37).
What are the key properties of N-[[1-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dichlorophenyl]pyrrol-2-yl]methyl]butanamide?
N-[[1-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dichlorophenyl]pyrrol-2-yl]methyl]butanamide has a molecular weight of 579.64 g/mol, XLogP of 7.28, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dichlorophenyl]pyrrol-2-yl]methyl]butanamide is sourced from PubChem (CID 18321822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).