N-benzyl-3-[ditert-butyl(fluoro)silyl]propanamide

C18H30FNOSi — CID 72704095

IUPACN-benzyl-3-[ditert-butyl(fluoro)silyl]propanamide
SMILESCC(C)(C)[Si](F)(CCC(=O)NCc1ccccc1)C(C)(C)C
InChIInChI=1S/C18H30FNOSi/c1-17(2,3)22(19,18(4,5)6)13-12-16(21)20-14-15-10-8-7-9-11-15/h7-11H,12-14H2,1-6H3,(H,20,21)
InChIKeyNXRSKRBCYSDRKO-UHFFFAOYSA-N
MW323.53 g/mol
LogP5.21
Rot. Bonds5

About N-benzyl-3-[ditert-butyl(fluoro)silyl]propanamide

N-benzyl-3-[ditert-butyl(fluoro)silyl]propanamide (PubChem CID 72704095) has the molecular formula C18H30FNOSi and a molecular weight of 323.53 g/mol. Its IUPAC name is N-benzyl-3-[ditert-butyl(fluoro)silyl]propanamide.

Molecular Properties

Compound NameN-benzyl-3-[ditert-butyl(fluoro)silyl]propanamide
PubChem CID72704095
Molecular FormulaC18H30FNOSi
Molecular Weight323.53 g/mol
Exact Mass323.21
IUPAC NameN-benzyl-3-[ditert-butyl(fluoro)silyl]propanamide
SMILESCC(C)(C)[Si](F)(CCC(=O)NCc1ccccc1)C(C)(C)C
InChIInChI=1S/C18H30FNOSi/c1-17(2,3)22(19,18(4,5)6)13-12-16(21)20-14-15-10-8-7-9-11-15/h7-11H,12-14H2,1-6H3,(H,20,21)
InChIKeyNXRSKRBCYSDRKO-UHFFFAOYSA-N
XLogP5.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.53
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-4,4-dimethylpentanamide
CID 59836653
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
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CID 10391
N-benzyl-3-(4-methylanilino)propanamide
CID 109018805
N-benzyl-4,4-difluorobutanamide
CID 132965820
N'-benzylbutanediamide
CID 4682951
6-(benzylamino)-6-oxohexanoic acid
CID 43529432
N-[2-(benzylamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 36895898
N-benzylundecanamide
CID 5078198
5-(benzylamino)-2-methyl-5-oxopentanoic acid
CID 112515547
N-benzyl-4-fluoro-7-oxooctanamide
CID 154713599
tert-butyl N-[4-(benzylamino)-4-oxobutyl]carbamate
CID 9138499

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[ditert-butyl(fluoro)silyl]propanamide?
The IUPAC name of N-benzyl-3-[ditert-butyl(fluoro)silyl]propanamide (CID 72704095) is N-benzyl-3-[ditert-butyl(fluoro)silyl]propanamide.
What is the SMILES notation for N-benzyl-3-[ditert-butyl(fluoro)silyl]propanamide?
The canonical SMILES for N-benzyl-3-[ditert-butyl(fluoro)silyl]propanamide is CC(C)(C)[Si](F)(CCC(=O)NCc1ccccc1)C(C)(C)C.
What is the InChIKey of N-benzyl-3-[ditert-butyl(fluoro)silyl]propanamide?
The InChIKey is NXRSKRBCYSDRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FNOSi/c1-17(2,3)22(19,18(4,5)6)13-12-16(21)20-14-15-10-8-7-9-11-15/h7-11H,12-14H2,1-6H3,(H,20,21).
What are the key properties of N-benzyl-3-[ditert-butyl(fluoro)silyl]propanamide?
N-benzyl-3-[ditert-butyl(fluoro)silyl]propanamide has a molecular weight of 323.53 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[ditert-butyl(fluoro)silyl]propanamide is sourced from PubChem (CID 72704095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).