N-[(1S)-1-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylidenecyclopentyl]-3-ethylpentyl]acetamide

C32H47NO2Si — CID 23563603

IUPACN-[(1S)-1-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylidenecyclopentyl]-3-ethylpentyl]acetamide
SMILESC=C1C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]([C@H](CC(CC)CC)NC(C)=O)C1
InChIInChI=1S/C32H47NO2Si/c1-8-26(9-2)22-31(33-25(4)34)30-21-24(3)20-27(30)23-35-36(32(5,6)7,28-16-12-10-13-17-28)29-18-14-11-15-19-29/h10-19,26-27,30-31H,3,8-9,20-23H2,1-2,4-7H3,(H,33,34)/t27-,30+,31-/m0/s1
InChIKeyAIMQYDMKTZYCGX-XTHXZNCLSA-N
MW505.82 g/mol
LogP6.48
Rot. Bonds11

About N-[(1S)-1-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylidenecyclopentyl]-3-ethylpentyl]acetamide

N-[(1S)-1-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylidenecyclopentyl]-3-ethylpentyl]acetamide (PubChem CID 23563603) has the molecular formula C32H47NO2Si and a molecular weight of 505.82 g/mol. Its IUPAC name is N-[(1S)-1-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylidenecyclopentyl]-3-ethylpentyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylidenecyclopentyl]-3-ethylpentyl]acetamide
PubChem CID23563603
Molecular FormulaC32H47NO2Si
Molecular Weight505.82 g/mol
Exact Mass505.34
IUPAC NameN-[(1S)-1-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylidenecyclopentyl]-3-ethylpentyl]acetamide
SMILESC=C1C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]([C@H](CC(CC)CC)NC(C)=O)C1
InChIInChI=1S/C32H47NO2Si/c1-8-26(9-2)22-31(33-25(4)34)30-21-24(3)20-27(30)23-35-36(32(5,6)7,28-16-12-10-13-17-28)29-18-14-11-15-19-29/h10-19,26-27,30-31H,3,8-9,20-23H2,1-2,4-7H3,(H,33,34)/t27-,30+,31-/m0/s1
InChIKeyAIMQYDMKTZYCGX-XTHXZNCLSA-N
XLogP6.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.82
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylidenecyclopentyl]-3-ethylpentyl]acetamide?
The IUPAC name of N-[(1S)-1-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylidenecyclopentyl]-3-ethylpentyl]acetamide (CID 23563603) is N-[(1S)-1-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylidenecyclopentyl]-3-ethylpentyl]acetamide.
What is the SMILES notation for N-[(1S)-1-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylidenecyclopentyl]-3-ethylpentyl]acetamide?
The canonical SMILES for N-[(1S)-1-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylidenecyclopentyl]-3-ethylpentyl]acetamide is C=C1C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]([C@H](CC(CC)CC)NC(C)=O)C1.
What is the InChIKey of N-[(1S)-1-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylidenecyclopentyl]-3-ethylpentyl]acetamide?
The InChIKey is AIMQYDMKTZYCGX-XTHXZNCLSA-N. The full InChI is InChI=1S/C32H47NO2Si/c1-8-26(9-2)22-31(33-25(4)34)30-21-24(3)20-27(30)23-35-36(32(5,6)7,28-16-12-10-13-17-28)29-18-14-11-15-19-29/h10-19,26-27,30-31H,3,8-9,20-23H2,1-2,4-7H3,(H,33,34)/t27-,30+,31-/m0/s1.
What are the key properties of N-[(1S)-1-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylidenecyclopentyl]-3-ethylpentyl]acetamide?
N-[(1S)-1-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylidenecyclopentyl]-3-ethylpentyl]acetamide has a molecular weight of 505.82 g/mol, XLogP of 6.48, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylidenecyclopentyl]-3-ethylpentyl]acetamide is sourced from PubChem (CID 23563603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).