(2S)-N-benzyl-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-4-methylpent-4-enamide

C32H41NO2Si — CID 56953832

IUPAC(2S)-N-benzyl-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-4-methylpent-4-enamide
SMILESC=C(C)C[C@H](CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)NCc1ccccc1
InChIInChI=1S/C32H41NO2Si/c1-26(2)24-28(31(34)33-25-27-16-9-6-10-17-27)18-15-23-35-36(32(3,4)5,29-19-11-7-12-20-29)30-21-13-8-14-22-30/h6-14,16-17,19-22,28H,1,15,18,23-25H2,2-5H3,(H,33,34)/t28-/m0/s1
InChIKeyRIEVYHLVRIMRPP-NDEPHWFRSA-N
MW499.77 g/mol
LogP6.24
Rot. Bonds12

About (2S)-N-benzyl-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-4-methylpent-4-enamide

(2S)-N-benzyl-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-4-methylpent-4-enamide (PubChem CID 56953832) has the molecular formula C32H41NO2Si and a molecular weight of 499.77 g/mol. Its IUPAC name is (2S)-N-benzyl-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-4-methylpent-4-enamide.

Molecular Properties

Compound Name(2S)-N-benzyl-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-4-methylpent-4-enamide
PubChem CID56953832
Molecular FormulaC32H41NO2Si
Molecular Weight499.77 g/mol
Exact Mass499.29
IUPAC Name(2S)-N-benzyl-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-4-methylpent-4-enamide
SMILESC=C(C)C[C@H](CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)NCc1ccccc1
InChIInChI=1S/C32H41NO2Si/c1-26(2)24-28(31(34)33-25-27-16-9-6-10-17-27)18-15-23-35-36(32(3,4)5,29-19-11-7-12-20-29)30-21-13-8-14-22-30/h6-14,16-17,19-22,28H,1,15,18,23-25H2,2-5H3,(H,33,34)/t28-/m0/s1
InChIKeyRIEVYHLVRIMRPP-NDEPHWFRSA-N
XLogP6.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.77
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-4-[tert-butyl(diphenyl)silyl]oxybutanamide
CID 11037409
(5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one
CID 11070292
(E,4S,6S,8S)-9-[tert-butyl(diphenyl)silyl]oxy-4,6,8-trimethyl-N-[(1S)-1-phenylethyl]non-2-enamide
CID 16084219
(2S)-N-Benzyl-3-{[tert-butyl(diphenyl)silyl]oxy}-2-methylpropanamide
CID 56593004
5-[tert-butyl(dimethyl)silyl]oxy-N-(2-phenylethyl)pentanamide
CID 135031643
N,N'-dibenzyl-3-[dimethyl(phenyl)silyl]hexanediamide
CID 10837595
N-benzyl-3,5-bis[[ethyl(dimethyl)silyl]oxy]-3-methylpentanamide
CID 101602248
N-[6-[diphenyl(propoxy)silyl]oxyhexyl]-4-prop-1-en-2-ylbenzamide
CID 69020749
N,4-dibenzyl-2-(methoxymethyl)-3-methyl-6-phenylhexanamide
CID 123215791
N,2-dibenzyl-5-[tert-butyl(dimethyl)silyl]oxy-N-methylpentanamide
CID 139707574
N-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-N-methylpentanamide
CID 139707583
(4S,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylpyrrolidin-2-one
CID 141398580

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-4-methylpent-4-enamide?
The IUPAC name of (2S)-N-benzyl-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-4-methylpent-4-enamide (CID 56953832) is (2S)-N-benzyl-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-4-methylpent-4-enamide.
What is the SMILES notation for (2S)-N-benzyl-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-4-methylpent-4-enamide?
The canonical SMILES for (2S)-N-benzyl-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-4-methylpent-4-enamide is C=C(C)C[C@H](CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)NCc1ccccc1.
What is the InChIKey of (2S)-N-benzyl-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-4-methylpent-4-enamide?
The InChIKey is RIEVYHLVRIMRPP-NDEPHWFRSA-N. The full InChI is InChI=1S/C32H41NO2Si/c1-26(2)24-28(31(34)33-25-27-16-9-6-10-17-27)18-15-23-35-36(32(3,4)5,29-19-11-7-12-20-29)30-21-13-8-14-22-30/h6-14,16-17,19-22,28H,1,15,18,23-25H2,2-5H3,(H,33,34)/t28-/m0/s1.
What are the key properties of (2S)-N-benzyl-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-4-methylpent-4-enamide?
(2S)-N-benzyl-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-4-methylpent-4-enamide has a molecular weight of 499.77 g/mol, XLogP of 6.24, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-4-methylpent-4-enamide is sourced from PubChem (CID 56953832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).