N-benzyl-N-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-ethoxyprop-2-en-1-amine

C28H47NO6Si — CID 135062661

IUPACN-benzyl-N-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-ethoxyprop-2-en-1-amine
SMILESC=C(OCC)C([C@H]1OC(C)(C)O[C@@H]1[C@H]1COC(C)(C)O1)N(Cc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H47NO6Si/c1-12-30-20(2)23(25-24(33-28(8,9)34-25)22-19-31-27(6,7)32-22)29(18-21-16-14-13-15-17-21)35-36(10,11)26(3,4)5/h13-17,22-25H,2,12,18-19H2,1,3-11H3/t22-,23?,24-,25-/m1/s1
InChIKeyQBZXCYCLHLXRRW-MGHPKPITSA-N
MW521.77 g/mol
LogP6.02
Rot. Bonds10

About N-benzyl-N-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-ethoxyprop-2-en-1-amine

N-benzyl-N-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-ethoxyprop-2-en-1-amine (PubChem CID 135062661) has the molecular formula C28H47NO6Si and a molecular weight of 521.77 g/mol. Its IUPAC name is N-benzyl-N-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-ethoxyprop-2-en-1-amine.

Molecular Properties

Compound NameN-benzyl-N-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-ethoxyprop-2-en-1-amine
PubChem CID135062661
Molecular FormulaC28H47NO6Si
Molecular Weight521.77 g/mol
Exact Mass521.32
IUPAC NameN-benzyl-N-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-ethoxyprop-2-en-1-amine
SMILESC=C(OCC)C([C@H]1OC(C)(C)O[C@@H]1[C@H]1COC(C)(C)O1)N(Cc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H47NO6Si/c1-12-30-20(2)23(25-24(33-28(8,9)34-25)22-19-31-27(6,7)32-22)29(18-21-16-14-13-15-17-21)35-36(10,11)26(3,4)5/h13-17,22-25H,2,12,18-19H2,1,3-11H3/t22-,23?,24-,25-/m1/s1
InChIKeyQBZXCYCLHLXRRW-MGHPKPITSA-N
XLogP6.02
TPSA58.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.77
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-benzyl-N-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-ethoxyprop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-N-benzyl-N-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-ethoxyprop-2-en-1-amine
CID 44556522
(1S)-N-benzyl-N-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-ethoxyprop-2-en-1-amine
CID 102165175
N-Benzyl-1-(hydroxyamino)-2:3;4:5-di-O-isopropylidene-alpha-D-mannofuranose
CID 10618829
[(3S,4R,5R)-2-benzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxyoxazinan-5-yl]oxy-tert-butyl-dimethylsilane
CID 11316550
(3S)-2-benzyl-3-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-3,6-dihydrooxazine
CID 11418299
[(3R,5S)-2-benzyl-3-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]-1,2-oxazolidin-5-yl]-trimethylsilane
CID 11419876
(1R,2R)-2-(benzylamino)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propane-1,3-diol
CID 14704936
(1R,2R)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(dibenzylamino)propane-1,3-diol
CID 15663035
(3S,5R)-2-benzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-ethenyl-1,2-oxazolidine
CID 16220740
(3S)-2-benzyl-3-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-phenylmethoxy-3,6-dihydrooxazine
CID 25209237
2-[[2-Benzyl-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,6-dihydrooxazin-4-yl]oxy]ethyl-trimethylsilane
CID 72752641
[(3S,5S)-2-benzyl-3-[(2R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,3-dioxan-4-yl]-1,2-oxazolidin-5-yl] acetate
CID 101851969

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-ethoxyprop-2-en-1-amine?
The IUPAC name of N-benzyl-N-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-ethoxyprop-2-en-1-amine (CID 135062661) is N-benzyl-N-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-ethoxyprop-2-en-1-amine.
What is the SMILES notation for N-benzyl-N-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-ethoxyprop-2-en-1-amine?
The canonical SMILES for N-benzyl-N-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-ethoxyprop-2-en-1-amine is C=C(OCC)C([C@H]1OC(C)(C)O[C@@H]1[C@H]1COC(C)(C)O1)N(Cc1ccccc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of N-benzyl-N-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-ethoxyprop-2-en-1-amine?
The InChIKey is QBZXCYCLHLXRRW-MGHPKPITSA-N. The full InChI is InChI=1S/C28H47NO6Si/c1-12-30-20(2)23(25-24(33-28(8,9)34-25)22-19-31-27(6,7)32-22)29(18-21-16-14-13-15-17-21)35-36(10,11)26(3,4)5/h13-17,22-25H,2,12,18-19H2,1,3-11H3/t22-,23?,24-,25-/m1/s1.
What are the key properties of N-benzyl-N-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-ethoxyprop-2-en-1-amine?
N-benzyl-N-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-ethoxyprop-2-en-1-amine has a molecular weight of 521.77 g/mol, XLogP of 6.02, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-ethoxyprop-2-en-1-amine is sourced from PubChem (CID 135062661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).