N-benzyl-N-butyl-3-[tert-butyl(dimethyl)silyl]oxypentanamide

C22H39NO2Si — CID 44605919

IUPACN-benzyl-N-butyl-3-[tert-butyl(dimethyl)silyl]oxypentanamide
SMILESCCCCN(Cc1ccccc1)C(=O)CC(CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H39NO2Si/c1-8-10-16-23(18-19-14-12-11-13-15-19)21(24)17-20(9-2)25-26(6,7)22(3,4)5/h11-15,20H,8-10,16-18H2,1-7H3
InChIKeyXPOXLBYRVQTJIY-UHFFFAOYSA-N
MW377.65 g/mol
LogP6.01
Rot. Bonds10

About N-benzyl-N-butyl-3-[tert-butyl(dimethyl)silyl]oxypentanamide

N-benzyl-N-butyl-3-[tert-butyl(dimethyl)silyl]oxypentanamide (PubChem CID 44605919) has the molecular formula C22H39NO2Si and a molecular weight of 377.65 g/mol. Its IUPAC name is N-benzyl-N-butyl-3-[tert-butyl(dimethyl)silyl]oxypentanamide.

Molecular Properties

Compound NameN-benzyl-N-butyl-3-[tert-butyl(dimethyl)silyl]oxypentanamide
PubChem CID44605919
Molecular FormulaC22H39NO2Si
Molecular Weight377.65 g/mol
Exact Mass377.28
IUPAC NameN-benzyl-N-butyl-3-[tert-butyl(dimethyl)silyl]oxypentanamide
SMILESCCCCN(Cc1ccccc1)C(=O)CC(CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H39NO2Si/c1-8-10-16-23(18-19-14-12-11-13-15-19)21(24)17-20(9-2)25-26(6,7)22(3,4)5/h11-15,20H,8-10,16-18H2,1-7H3
InChIKeyXPOXLBYRVQTJIY-UHFFFAOYSA-N
XLogP6.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.65
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-butylpropanamide
CID 12502571
4-amino-N-benzyl-3-methoxy-N-propylbutanamide;hydrochloride
CID 120586847
N-benzyl-N-butyl-4-hydroxybutanamide
CID 139706995
N-benzyl-2-bromo-N-hexylacetamide
CID 68872277
benzyl 6-[bis[2-[tert-butyl(dimethyl)silyl]oxydodecyl]amino]-2-hydroxyhexanoate
CID 140916959
benzyl (2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hexyl-5-phenylmethoxyhexadecanoate
CID 58361991
N-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide
CID 114875389
N-benzyl-2-(dimethylamino)-N-dodecylacetamide
CID 172759301
(3R)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-N-methylpent-4-enamide
CID 10065434
3-amino-N-benzyl-N-propylbutanamide;hydrochloride
CID 119681635
(Z)-4-[benzyl(butyl)amino]-2-hydroxy-4-oxobut-2-enoic acid
CID 54689381
ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxypentanoate
CID 11222352

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-butyl-3-[tert-butyl(dimethyl)silyl]oxypentanamide?
The IUPAC name of N-benzyl-N-butyl-3-[tert-butyl(dimethyl)silyl]oxypentanamide (CID 44605919) is N-benzyl-N-butyl-3-[tert-butyl(dimethyl)silyl]oxypentanamide.
What is the SMILES notation for N-benzyl-N-butyl-3-[tert-butyl(dimethyl)silyl]oxypentanamide?
The canonical SMILES for N-benzyl-N-butyl-3-[tert-butyl(dimethyl)silyl]oxypentanamide is CCCCN(Cc1ccccc1)C(=O)CC(CC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of N-benzyl-N-butyl-3-[tert-butyl(dimethyl)silyl]oxypentanamide?
The InChIKey is XPOXLBYRVQTJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39NO2Si/c1-8-10-16-23(18-19-14-12-11-13-15-19)21(24)17-20(9-2)25-26(6,7)22(3,4)5/h11-15,20H,8-10,16-18H2,1-7H3.
What are the key properties of N-benzyl-N-butyl-3-[tert-butyl(dimethyl)silyl]oxypentanamide?
N-benzyl-N-butyl-3-[tert-butyl(dimethyl)silyl]oxypentanamide has a molecular weight of 377.65 g/mol, XLogP of 6.01, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-butyl-3-[tert-butyl(dimethyl)silyl]oxypentanamide is sourced from PubChem (CID 44605919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).