N-cyclohexyl-3-(3-fluorophenyl)-3-methyl-4-tri(propan-2-yl)silyloxybutanamide

C26H44FNO2Si — CID 155935101

IUPACN-cyclohexyl-3-(3-fluorophenyl)-3-methyl-4-tri(propan-2-yl)silyloxybutanamide
SMILESCC(C)[Si](OCC(C)(CC(=O)NC1CCCCC1)c1cccc(F)c1)(C(C)C)C(C)C
InChIInChI=1S/C26H44FNO2Si/c1-19(2)31(20(3)4,21(5)6)30-18-26(7,22-12-11-13-23(27)16-22)17-25(29)28-24-14-9-8-10-15-24/h11-13,16,19-21,24H,8-10,14-15,17-18H2,1-7H3,(H,28,29)
InChIKeyOTJGHUYDTBZZCE-UHFFFAOYSA-N
MW449.73 g/mol
LogP7.11
Rot. Bonds10

About N-cyclohexyl-3-(3-fluorophenyl)-3-methyl-4-tri(propan-2-yl)silyloxybutanamide

N-cyclohexyl-3-(3-fluorophenyl)-3-methyl-4-tri(propan-2-yl)silyloxybutanamide (PubChem CID 155935101) has the molecular formula C26H44FNO2Si and a molecular weight of 449.73 g/mol. Its IUPAC name is N-cyclohexyl-3-(3-fluorophenyl)-3-methyl-4-tri(propan-2-yl)silyloxybutanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(3-fluorophenyl)-3-methyl-4-tri(propan-2-yl)silyloxybutanamide
PubChem CID155935101
Molecular FormulaC26H44FNO2Si
Molecular Weight449.73 g/mol
Exact Mass449.31
IUPAC NameN-cyclohexyl-3-(3-fluorophenyl)-3-methyl-4-tri(propan-2-yl)silyloxybutanamide
SMILESCC(C)[Si](OCC(C)(CC(=O)NC1CCCCC1)c1cccc(F)c1)(C(C)C)C(C)C
InChIInChI=1S/C26H44FNO2Si/c1-19(2)31(20(3)4,21(5)6)30-18-26(7,22-12-11-13-23(27)16-22)17-25(29)28-24-14-9-8-10-15-24/h11-13,16,19-21,24H,8-10,14-15,17-18H2,1-7H3,(H,28,29)
InChIKeyOTJGHUYDTBZZCE-UHFFFAOYSA-N
XLogP7.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.73
LogP ≤ 57.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S,3aR,7aR)-3-benzyl-3a-methyl-4-tri(propan-2-yl)silyloxy-3,6,7,7a-tetrahydro-1H-indol-2-one
CID 386831
5-[3-(Tert-butyldimethyl-silanyloxy)-4-(3-fluoro-phenyl)-butyl]-pyrrolidin-2-one
CID 12970095
5-[3-(Tert-butyl-dimethyl-silanyloxy)-4-(3-trifluoromethyl-phenyl)-butyl]-pyrrolidin-2-one
CID 12970098
[4-[[Tert-butyl(dimethyl)silyl]oxymethyl]-4-phenylpiperidin-1-yl]-[1-(3-fluorophenyl)cyclopentyl]methanone
CID 18762972
5-[3-(Tert-butyl-dimethyl-silanyloxy)4-(4-fluoro-phenyl)-butyl]-pyrrolidin-2-one
CID 22712520
(5S)-5-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-difluoro-4-phenylbutyl]pyrrolidin-2-one
CID 60043929
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2,5-difluorophenyl)-N-methyl-2-phenyl-N-piperidin-4-ylcyclopent-3-ene-1-carboxamide
CID 71186984
(5S)-5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-difluoro-4-phenylbutyl]pyrrolidin-2-one
CID 146027475
N-[1-phenyl-3-tri(propan-2-yl)silyloxypropan-2-yl]cyclohexanecarboxamide
CID 138970075
N-[(E,2S,5R)-5-benzyl-6-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-en-2-yl]-2,2,2-trifluoroacetamide
CID 16106649
N-[(E,2S,5S)-5-benzyl-6-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-en-2-yl]-2,2,2-trifluoroacetamide
CID 16107718
4-(4-fluorophenyl)-N-propan-2-yloxane-4-carboxamide
CID 27456585

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(3-fluorophenyl)-3-methyl-4-tri(propan-2-yl)silyloxybutanamide?
The IUPAC name of N-cyclohexyl-3-(3-fluorophenyl)-3-methyl-4-tri(propan-2-yl)silyloxybutanamide (CID 155935101) is N-cyclohexyl-3-(3-fluorophenyl)-3-methyl-4-tri(propan-2-yl)silyloxybutanamide.
What is the SMILES notation for N-cyclohexyl-3-(3-fluorophenyl)-3-methyl-4-tri(propan-2-yl)silyloxybutanamide?
The canonical SMILES for N-cyclohexyl-3-(3-fluorophenyl)-3-methyl-4-tri(propan-2-yl)silyloxybutanamide is CC(C)[Si](OCC(C)(CC(=O)NC1CCCCC1)c1cccc(F)c1)(C(C)C)C(C)C.
What is the InChIKey of N-cyclohexyl-3-(3-fluorophenyl)-3-methyl-4-tri(propan-2-yl)silyloxybutanamide?
The InChIKey is OTJGHUYDTBZZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44FNO2Si/c1-19(2)31(20(3)4,21(5)6)30-18-26(7,22-12-11-13-23(27)16-22)17-25(29)28-24-14-9-8-10-15-24/h11-13,16,19-21,24H,8-10,14-15,17-18H2,1-7H3,(H,28,29).
What are the key properties of N-cyclohexyl-3-(3-fluorophenyl)-3-methyl-4-tri(propan-2-yl)silyloxybutanamide?
N-cyclohexyl-3-(3-fluorophenyl)-3-methyl-4-tri(propan-2-yl)silyloxybutanamide has a molecular weight of 449.73 g/mol, XLogP of 7.11, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(3-fluorophenyl)-3-methyl-4-tri(propan-2-yl)silyloxybutanamide is sourced from PubChem (CID 155935101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).