9H-fluoren-9-ylmethyl 2-[4-[tert-butyl(diphenyl)silyl]oxybutyl-(2-oxobutyl)amino]acetate

C40H47NO4Si — CID 157143276

IUPAC9H-fluoren-9-ylmethyl 2-[4-[tert-butyl(diphenyl)silyl]oxybutyl-(2-oxobutyl)amino]acetate
SMILESCCC(=O)CN(CCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C40H47NO4Si/c1-5-31(42)28-41(29-39(43)44-30-38-36-24-14-12-22-34(36)35-23-13-15-25-37(35)38)26-16-17-27-45-46(40(2,3)4,32-18-8-6-9-19-32)33-20-10-7-11-21-33/h6-15,18-25,38H,5,16-17,26-30H2,1-4H3
InChIKeyKXGULIBVNXMJQP-UHFFFAOYSA-N
MW633.91 g/mol
LogP6.98
Rot. Bonds15

About 9H-fluoren-9-ylmethyl 2-[4-[tert-butyl(diphenyl)silyl]oxybutyl-(2-oxobutyl)amino]acetate

9H-fluoren-9-ylmethyl 2-[4-[tert-butyl(diphenyl)silyl]oxybutyl-(2-oxobutyl)amino]acetate (PubChem CID 157143276) has the molecular formula C40H47NO4Si and a molecular weight of 633.91 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 2-[4-[tert-butyl(diphenyl)silyl]oxybutyl-(2-oxobutyl)amino]acetate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 2-[4-[tert-butyl(diphenyl)silyl]oxybutyl-(2-oxobutyl)amino]acetate
PubChem CID157143276
Molecular FormulaC40H47NO4Si
Molecular Weight633.91 g/mol
Exact Mass633.33
IUPAC Name9H-fluoren-9-ylmethyl 2-[4-[tert-butyl(diphenyl)silyl]oxybutyl-(2-oxobutyl)amino]acetate
SMILESCCC(=O)CN(CCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C40H47NO4Si/c1-5-31(42)28-41(29-39(43)44-30-38-36-24-14-12-22-34(36)35-23-13-15-25-37(35)38)26-16-17-27-45-46(40(2,3)4,32-18-8-6-9-19-32)33-20-10-7-11-21-33/h6-15,18-25,38H,5,16-17,26-30H2,1-4H3
InChIKeyKXGULIBVNXMJQP-UHFFFAOYSA-N
XLogP6.98
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.91
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[tert-butyl(diphenyl)silyl]oxybutyl-(chloromethyl)amino]butan-2-one
CID 159768408
9H-fluoren-9-ylmethyl N-[1-[3-[tert-butyl(diphenyl)silyl]oxypropylamino]-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 58841936
12-[tert-butyl(diphenyl)silyl]oxydodecyl 2-methoxyacetate
CID 10907379
(2R,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid
CID 73054939
4-[4-[tert-butyl(diphenyl)silyl]oxybutyl-methylamino]butanoyl chloride
CID 174145246
10-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(10-hydroxydecyl)amino]decan-1-ol
CID 169273518
2-[benzyl-[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]acetic acid
CID 67674409
2-[[4-(9H-fluoren-9-ylmethoxy)-4-oxobutyl]-propanoylamino]acetic acid
CID 59806874
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-(pyridin-2-ylmethyl)amino]hexanoic acid
CID 177430746
9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
(2S)-3-(9H-fluoren-9-ylmethoxy)-2-methyl-3-oxo-2-(N-phenylanilino)propanoic acid
CID 68509314
5-[tert-butyl(diphenyl)silyl]oxypentyl 2-methylprop-2-enoate
CID 172860642

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 2-[4-[tert-butyl(diphenyl)silyl]oxybutyl-(2-oxobutyl)amino]acetate?
The IUPAC name of 9H-fluoren-9-ylmethyl 2-[4-[tert-butyl(diphenyl)silyl]oxybutyl-(2-oxobutyl)amino]acetate (CID 157143276) is 9H-fluoren-9-ylmethyl 2-[4-[tert-butyl(diphenyl)silyl]oxybutyl-(2-oxobutyl)amino]acetate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 2-[4-[tert-butyl(diphenyl)silyl]oxybutyl-(2-oxobutyl)amino]acetate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 2-[4-[tert-butyl(diphenyl)silyl]oxybutyl-(2-oxobutyl)amino]acetate is CCC(=O)CN(CCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl 2-[4-[tert-butyl(diphenyl)silyl]oxybutyl-(2-oxobutyl)amino]acetate?
The InChIKey is KXGULIBVNXMJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H47NO4Si/c1-5-31(42)28-41(29-39(43)44-30-38-36-24-14-12-22-34(36)35-23-13-15-25-37(35)38)26-16-17-27-45-46(40(2,3)4,32-18-8-6-9-19-32)33-20-10-7-11-21-33/h6-15,18-25,38H,5,16-17,26-30H2,1-4H3.
What are the key properties of 9H-fluoren-9-ylmethyl 2-[4-[tert-butyl(diphenyl)silyl]oxybutyl-(2-oxobutyl)amino]acetate?
9H-fluoren-9-ylmethyl 2-[4-[tert-butyl(diphenyl)silyl]oxybutyl-(2-oxobutyl)amino]acetate has a molecular weight of 633.91 g/mol, XLogP of 6.98, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl 2-[4-[tert-butyl(diphenyl)silyl]oxybutyl-(2-oxobutyl)amino]acetate is sourced from PubChem (CID 157143276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).