(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxy-N-[(3S)-2-oxoazepan-3-yl]propanamide

C23H42N2O6Si — CID 11496493

IUPAC(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxy-N-[(3S)-2-oxoazepan-3-yl]propanamide
SMILESC=C[C@H]1OC(C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OC)C(=O)N[C@H]1CCCCNC1=O
InChIInChI=1S/C23H42N2O6Si/c1-10-16-17(30-23(5,6)29-16)18(31-32(8,9)22(2,3)4)19(28-7)21(27)25-15-13-11-12-14-24-20(15)26/h10,15-19H,1,11-14H2,2-9H3,(H,24,26)(H,25,27)/t15-,16+,17-,18+,19+/m0/s1
InChIKeyJHIBQQSIZDISRZ-ZWJWXYIHSA-N
MW470.68 g/mol
LogP2.88
Rot. Bonds8

About (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxy-N-[(3S)-2-oxoazepan-3-yl]propanamide

(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxy-N-[(3S)-2-oxoazepan-3-yl]propanamide (PubChem CID 11496493) has the molecular formula C23H42N2O6Si and a molecular weight of 470.68 g/mol. Its IUPAC name is (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxy-N-[(3S)-2-oxoazepan-3-yl]propanamide.

Molecular Properties

Compound Name(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxy-N-[(3S)-2-oxoazepan-3-yl]propanamide
PubChem CID11496493
Molecular FormulaC23H42N2O6Si
Molecular Weight470.68 g/mol
Exact Mass470.28
IUPAC Name(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxy-N-[(3S)-2-oxoazepan-3-yl]propanamide
SMILESC=C[C@H]1OC(C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OC)C(=O)N[C@H]1CCCCNC1=O
InChIInChI=1S/C23H42N2O6Si/c1-10-16-17(30-23(5,6)29-16)18(31-32(8,9)22(2,3)4)19(28-7)21(27)25-15-13-11-12-14-24-20(15)26/h10,15-19H,1,11-14H2,2-9H3,(H,24,26)(H,25,27)/t15-,16+,17-,18+,19+/m0/s1
InChIKeyJHIBQQSIZDISRZ-ZWJWXYIHSA-N
XLogP2.88
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.68
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[tert-butyl(dimethyl)silyl]oxy-3-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)-2-methoxy-N-(2-oxoazepan-3-yl)propanamide
CID 72984168
(2R,3R)-3-[(4R,5R)-5-[(1E,3E)-5,5-dimethylhexa-1,3-dienyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methoxy-N-[(3S)-2-oxoazepan-3-yl]propanamide
CID 46915241
(2R,3R,4S,5R,6E)-3,4,5-trihydroxy-2-methoxy-8,9-dimethyl-N-[(3S)-2-oxoazepan-3-yl]deca-6,8-dienamide
CID 46915539
2-amino-2-methyl-N-(2-oxopiperidin-3-yl)propanamide
CID 62092380
2-(aminomethyl)-4,4-dimethyl-N-(2-oxoazepan-3-yl)pentanamide
CID 107471324
2-methyl-3-oxo-3-[(2-oxopiperidin-3-yl)amino]propanoic acid
CID 114897426
2-(methylamino)-N-(2-oxopiperidin-3-yl)propanamide
CID 62637894
2-methoxy-N-(2-oxopiperidin-3-yl)butanamide
CID 47478755
(2S)-2-hydroxy-N-(2-oxopiperidin-3-yl)propanamide
CID 130978731
methyl 4-[[(2R)-2-[(4R,5R,6R)-6-(3,3-dimethylbut-1-enyl)-5-hydroxy-2,2-dimethyl-1,3-dioxan-4-yl]-2-methoxyacetyl]amino]-5-oxopyrrolidine-2-carboxylate
CID 69060016
(2R)-2-ethyl-N-[(3S)-2-oxoazepan-3-yl]hexanamide
CID 11379810
(2-oxoazepan-3-yl)carbamic acid
CID 18612606

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxy-N-[(3S)-2-oxoazepan-3-yl]propanamide?
The IUPAC name of (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxy-N-[(3S)-2-oxoazepan-3-yl]propanamide (CID 11496493) is (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxy-N-[(3S)-2-oxoazepan-3-yl]propanamide.
What is the SMILES notation for (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxy-N-[(3S)-2-oxoazepan-3-yl]propanamide?
The canonical SMILES for (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxy-N-[(3S)-2-oxoazepan-3-yl]propanamide is C=C[C@H]1OC(C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OC)C(=O)N[C@H]1CCCCNC1=O.
What is the InChIKey of (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxy-N-[(3S)-2-oxoazepan-3-yl]propanamide?
The InChIKey is JHIBQQSIZDISRZ-ZWJWXYIHSA-N. The full InChI is InChI=1S/C23H42N2O6Si/c1-10-16-17(30-23(5,6)29-16)18(31-32(8,9)22(2,3)4)19(28-7)21(27)25-15-13-11-12-14-24-20(15)26/h10,15-19H,1,11-14H2,2-9H3,(H,24,26)(H,25,27)/t15-,16+,17-,18+,19+/m0/s1.
What are the key properties of (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxy-N-[(3S)-2-oxoazepan-3-yl]propanamide?
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxy-N-[(3S)-2-oxoazepan-3-yl]propanamide has a molecular weight of 470.68 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxy-N-[(3S)-2-oxoazepan-3-yl]propanamide is sourced from PubChem (CID 11496493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).