(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-cyclopentyloxy-5-(3,5-dimethoxy-4-methylphenyl)pentanamide

C25H43NO5Si — CID 174170471

IUPAC(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-cyclopentyloxy-5-(3,5-dimethoxy-4-methylphenyl)pentanamide
SMILESCOc1cc([C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CCC(N)=O)OC2CCCC2)cc(OC)c1C
InChIInChI=1S/C25H43NO5Si/c1-17-21(28-5)15-18(16-22(17)29-6)24(31-32(7,8)25(2,3)4)20(13-14-23(26)27)30-19-11-9-10-12-19/h15-16,19-20,24H,9-14H2,1-8H3,(H2,26,27)/t20-,24+/m0/s1
InChIKeyZYTRXXOMKWIFPC-GBXCKJPGSA-N
MW465.71 g/mol
LogP5.67
Rot. Bonds11

About (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-cyclopentyloxy-5-(3,5-dimethoxy-4-methylphenyl)pentanamide

(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-cyclopentyloxy-5-(3,5-dimethoxy-4-methylphenyl)pentanamide (PubChem CID 174170471) has the molecular formula C25H43NO5Si and a molecular weight of 465.71 g/mol. Its IUPAC name is (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-cyclopentyloxy-5-(3,5-dimethoxy-4-methylphenyl)pentanamide.

Molecular Properties

Compound Name(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-cyclopentyloxy-5-(3,5-dimethoxy-4-methylphenyl)pentanamide
PubChem CID174170471
Molecular FormulaC25H43NO5Si
Molecular Weight465.71 g/mol
Exact Mass465.29
IUPAC Name(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-cyclopentyloxy-5-(3,5-dimethoxy-4-methylphenyl)pentanamide
SMILESCOc1cc([C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CCC(N)=O)OC2CCCC2)cc(OC)c1C
InChIInChI=1S/C25H43NO5Si/c1-17-21(28-5)15-18(16-22(17)29-6)24(31-32(7,8)25(2,3)4)20(13-14-23(26)27)30-19-11-9-10-12-19/h15-16,19-20,24H,9-14H2,1-8H3,(H2,26,27)/t20-,24+/m0/s1
InChIKeyZYTRXXOMKWIFPC-GBXCKJPGSA-N
XLogP5.67
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.71
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-cyclopentyloxy-5-(3,5-dimethoxy-4-methylphenyl)pentanamide?
The IUPAC name of (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-cyclopentyloxy-5-(3,5-dimethoxy-4-methylphenyl)pentanamide (CID 174170471) is (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-cyclopentyloxy-5-(3,5-dimethoxy-4-methylphenyl)pentanamide.
What is the SMILES notation for (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-cyclopentyloxy-5-(3,5-dimethoxy-4-methylphenyl)pentanamide?
The canonical SMILES for (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-cyclopentyloxy-5-(3,5-dimethoxy-4-methylphenyl)pentanamide is COc1cc([C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CCC(N)=O)OC2CCCC2)cc(OC)c1C.
What is the InChIKey of (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-cyclopentyloxy-5-(3,5-dimethoxy-4-methylphenyl)pentanamide?
The InChIKey is ZYTRXXOMKWIFPC-GBXCKJPGSA-N. The full InChI is InChI=1S/C25H43NO5Si/c1-17-21(28-5)15-18(16-22(17)29-6)24(31-32(7,8)25(2,3)4)20(13-14-23(26)27)30-19-11-9-10-12-19/h15-16,19-20,24H,9-14H2,1-8H3,(H2,26,27)/t20-,24+/m0/s1.
What are the key properties of (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-cyclopentyloxy-5-(3,5-dimethoxy-4-methylphenyl)pentanamide?
(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-cyclopentyloxy-5-(3,5-dimethoxy-4-methylphenyl)pentanamide has a molecular weight of 465.71 g/mol, XLogP of 5.67, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-cyclopentyloxy-5-(3,5-dimethoxy-4-methylphenyl)pentanamide is sourced from PubChem (CID 174170471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).