N-[(1R)-1-[(3aR,5R,6S,6aR)-6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]prop-2-enyl]acetamide

C28H37NO5Si — CID 101105791

IUPACN-[(1R)-1-[(3aR,5R,6S,6aR)-6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]prop-2-enyl]acetamide
SMILESC=C[C@@H](NC(C)=O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H37NO5Si/c1-8-22(29-19(2)30)23-24(25-26(31-23)33-28(6,7)32-25)34-35(27(3,4)5,20-15-11-9-12-16-20)21-17-13-10-14-18-21/h8-18,22-26H,1H2,2-7H3,(H,29,30)/t22-,23-,24+,25-,26-/m1/s1
InChIKeyFIUYXRAIUASAKX-WSGIOKLISA-N
MW495.69 g/mol
LogP3.50
Rot. Bonds7

About N-[(1R)-1-[(3aR,5R,6S,6aR)-6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]prop-2-enyl]acetamide

N-[(1R)-1-[(3aR,5R,6S,6aR)-6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]prop-2-enyl]acetamide (PubChem CID 101105791) has the molecular formula C28H37NO5Si and a molecular weight of 495.69 g/mol. Its IUPAC name is N-[(1R)-1-[(3aR,5R,6S,6aR)-6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-[(3aR,5R,6S,6aR)-6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]prop-2-enyl]acetamide
PubChem CID101105791
Molecular FormulaC28H37NO5Si
Molecular Weight495.69 g/mol
Exact Mass495.24
IUPAC NameN-[(1R)-1-[(3aR,5R,6S,6aR)-6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]prop-2-enyl]acetamide
SMILESC=C[C@@H](NC(C)=O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H37NO5Si/c1-8-22(29-19(2)30)23-24(25-26(31-23)33-28(6,7)32-25)34-35(27(3,4)5,20-15-11-9-12-16-20)21-17-13-10-14-18-21/h8-18,22-26H,1H2,2-7H3,(H,29,30)/t22-,23-,24+,25-,26-/m1/s1
InChIKeyFIUYXRAIUASAKX-WSGIOKLISA-N
XLogP3.50
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.69
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(1R)-1-[(3aR,5R,6S,6aR)-6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]prop-2-enyl]acetamide with MolForge

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Related Compounds

N-[(3aR,4R,7R,7aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]-2,2,2-trifluoroacetamide
CID 170982746
N-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethyl]-2,2,2-trifluoroacetamide
CID 173794571
N-[(3aR,4R,7R,7aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-hydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]-2,2,2-trifluoroacetamide
CID 101704239
2-(Acetylamino)-2-deoxy-6-O-[(1,1-dimethylethyl)diphenylsilyl]-1,3:4,5-bis-O-(1-methylethylidene)-D-mannitol
CID 69655539
N-[(2R,5R)-4,5-dibutoxy-6-(butoxymethyl)-2-[5-[hydroxy(diphenyl)silyl]-5-methylhexoxy]oxan-3-yl]acetamide
CID 71130913
N-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4S,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]ethyl]acetamide
CID 147924437
N-[(3R,4R,5R,6R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 155766775
[(3R,3aR,6S,6aS)-3-[3-[[2-[tert-butyl(diphenyl)silyl]oxyacetyl]amino]propylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate
CID 166521082
tert-butyl N-[(3aR,4R,7S,7aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]carbamate
CID 170982646
N-[(3aR,4R,7S,7aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]acetamide
CID 170982696
[(2R,3R,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-[4-[hydroxy(diphenyl)silyl]-4-methylpentoxy]oxan-2-yl]methyl acetate
CID 173631188
[(2R,3R,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-[2-[2-[4-[hydroxy(diphenyl)silyl]-4-methylpentoxy]ethoxy]ethoxy]oxan-2-yl]methyl acetate
CID 173631194

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[(3aR,5R,6S,6aR)-6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]prop-2-enyl]acetamide?
The IUPAC name of N-[(1R)-1-[(3aR,5R,6S,6aR)-6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]prop-2-enyl]acetamide (CID 101105791) is N-[(1R)-1-[(3aR,5R,6S,6aR)-6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]prop-2-enyl]acetamide.
What is the SMILES notation for N-[(1R)-1-[(3aR,5R,6S,6aR)-6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]prop-2-enyl]acetamide?
The canonical SMILES for N-[(1R)-1-[(3aR,5R,6S,6aR)-6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]prop-2-enyl]acetamide is C=C[C@@H](NC(C)=O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of N-[(1R)-1-[(3aR,5R,6S,6aR)-6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]prop-2-enyl]acetamide?
The InChIKey is FIUYXRAIUASAKX-WSGIOKLISA-N. The full InChI is InChI=1S/C28H37NO5Si/c1-8-22(29-19(2)30)23-24(25-26(31-23)33-28(6,7)32-25)34-35(27(3,4)5,20-15-11-9-12-16-20)21-17-13-10-14-18-21/h8-18,22-26H,1H2,2-7H3,(H,29,30)/t22-,23-,24+,25-,26-/m1/s1.
What are the key properties of N-[(1R)-1-[(3aR,5R,6S,6aR)-6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]prop-2-enyl]acetamide?
N-[(1R)-1-[(3aR,5R,6S,6aR)-6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]prop-2-enyl]acetamide has a molecular weight of 495.69 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[(3aR,5R,6S,6aR)-6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]prop-2-enyl]acetamide is sourced from PubChem (CID 101105791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).