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

C32H49NO3Si — CID 23563608

IUPACN-[(1S)-1-[(1R,2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(hydroxymethyl)cyclopentyl]-3-ethylpentyl]acetamide
SMILESCCC(CC)C[C@H](NC(C)=O)[C@@H]1C[C@@H](CO)C[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C32H49NO3Si/c1-7-25(8-2)21-31(33-24(3)35)30-20-26(22-34)19-27(30)23-36-37(32(4,5)6,28-15-11-9-12-16-28)29-17-13-10-14-18-29/h9-18,25-27,30-31,34H,7-8,19-23H2,1-6H3,(H,33,35)/t26-,27-,30+,31-/m0/s1
InChIKeyKFYIYZHVLAEXMF-FOHQDORMSA-N
MW523.83 g/mol
LogP5.53
Rot. Bonds12

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

N-[(1S)-1-[(1R,2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(hydroxymethyl)cyclopentyl]-3-ethylpentyl]acetamide (PubChem CID 23563608) has the molecular formula C32H49NO3Si and a molecular weight of 523.83 g/mol. Its IUPAC name is N-[(1S)-1-[(1R,2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(hydroxymethyl)cyclopentyl]-3-ethylpentyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[(1R,2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(hydroxymethyl)cyclopentyl]-3-ethylpentyl]acetamide
PubChem CID23563608
Molecular FormulaC32H49NO3Si
Molecular Weight523.83 g/mol
Exact Mass523.35
IUPAC NameN-[(1S)-1-[(1R,2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(hydroxymethyl)cyclopentyl]-3-ethylpentyl]acetamide
SMILESCCC(CC)C[C@H](NC(C)=O)[C@@H]1C[C@@H](CO)C[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C32H49NO3Si/c1-7-25(8-2)21-31(33-24(3)35)30-20-26(22-34)19-27(30)23-36-37(32(4,5)6,28-15-11-9-12-16-28)29-17-13-10-14-18-29/h9-18,25-27,30-31,34H,7-8,19-23H2,1-6H3,(H,33,35)/t26-,27-,30+,31-/m0/s1
InChIKeyKFYIYZHVLAEXMF-FOHQDORMSA-N
XLogP5.53
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.83
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[(1R,2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(hydroxymethyl)cyclopentyl]-3-ethylpentyl]acetamide?
The IUPAC name of N-[(1S)-1-[(1R,2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(hydroxymethyl)cyclopentyl]-3-ethylpentyl]acetamide (CID 23563608) is N-[(1S)-1-[(1R,2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(hydroxymethyl)cyclopentyl]-3-ethylpentyl]acetamide.
What is the SMILES notation for N-[(1S)-1-[(1R,2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(hydroxymethyl)cyclopentyl]-3-ethylpentyl]acetamide?
The canonical SMILES for N-[(1S)-1-[(1R,2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(hydroxymethyl)cyclopentyl]-3-ethylpentyl]acetamide is CCC(CC)C[C@H](NC(C)=O)[C@@H]1C[C@@H](CO)C[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of N-[(1S)-1-[(1R,2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(hydroxymethyl)cyclopentyl]-3-ethylpentyl]acetamide?
The InChIKey is KFYIYZHVLAEXMF-FOHQDORMSA-N. The full InChI is InChI=1S/C32H49NO3Si/c1-7-25(8-2)21-31(33-24(3)35)30-20-26(22-34)19-27(30)23-36-37(32(4,5)6,28-15-11-9-12-16-28)29-17-13-10-14-18-29/h9-18,25-27,30-31,34H,7-8,19-23H2,1-6H3,(H,33,35)/t26-,27-,30+,31-/m0/s1.
What are the key properties of N-[(1S)-1-[(1R,2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(hydroxymethyl)cyclopentyl]-3-ethylpentyl]acetamide?
N-[(1S)-1-[(1R,2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(hydroxymethyl)cyclopentyl]-3-ethylpentyl]acetamide has a molecular weight of 523.83 g/mol, XLogP of 5.53, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[(1R,2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(hydroxymethyl)cyclopentyl]-3-ethylpentyl]acetamide is sourced from PubChem (CID 23563608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).