N-benzyl-N-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutan-2-yl]-2-chloropropanamide

C20H34ClNO3Si — CID 123376623

IUPACN-benzyl-N-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutan-2-yl]-2-chloropropanamide
SMILESCC(Cl)C(=O)N(Cc1ccccc1)C(CO)C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H34ClNO3Si/c1-15(21)19(24)22(13-17-11-9-8-10-12-17)18(14-23)16(2)25-26(6,7)20(3,4)5/h8-12,15-16,18,23H,13-14H2,1-7H3
InChIKeySGLQKJVSQVGCMF-UHFFFAOYSA-N
MW400.04 g/mol
LogP4.41
Rot. Bonds8

About N-benzyl-N-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutan-2-yl]-2-chloropropanamide

N-benzyl-N-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutan-2-yl]-2-chloropropanamide (PubChem CID 123376623) has the molecular formula C20H34ClNO3Si and a molecular weight of 400.04 g/mol. Its IUPAC name is N-benzyl-N-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutan-2-yl]-2-chloropropanamide.

Molecular Properties

Compound NameN-benzyl-N-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutan-2-yl]-2-chloropropanamide
PubChem CID123376623
Molecular FormulaC20H34ClNO3Si
Molecular Weight400.04 g/mol
Exact Mass399.20
IUPAC NameN-benzyl-N-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutan-2-yl]-2-chloropropanamide
SMILESCC(Cl)C(=O)N(Cc1ccccc1)C(CO)C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H34ClNO3Si/c1-15(21)19(24)22(13-17-11-9-8-10-12-17)18(14-23)16(2)25-26(6,7)20(3,4)5/h8-12,15-16,18,23H,13-14H2,1-7H3
InChIKeySGLQKJVSQVGCMF-UHFFFAOYSA-N
XLogP4.41
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.04
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-Benzyl-2-chloro-N-[(2S)-1,4-dihydroxybutan-2-yl]propanamide
CID 117824863
(3R,5E,8R)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-8-chloro-3,4,7,8-tetrahydro-2H-azonin-9-one
CID 10883735
(2S)-2-[benzyl-[(E)-4-chloro-3-methylbut-2-enyl]amino]-3-[tert-butyl(dimethyl)silyl]oxypropan-1-ol
CID 23583352
(2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(dibenzylamino)butan-2-ol
CID 134999325
(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(dibenzylamino)butan-2-ol
CID 135001152
2-Chloro-N-[(4-fluorophenyl)methyl]-N-(4-hydroxypentan-2-yl)acetamide
CID 154879414
N-benzyl-2-chloro-N-(1,1-difluoro-2-hydroxypentan-3-yl)acetamide
CID 165766725
N-benzyl-2-chloro-N-(1-hydroxypropan-2-yl)acetamide
CID 14143043
N-Benzyl-2-chloro-N-((S)-2-hydroxy-1-methyl-ethyl)-acetamide
CID 14143044
N-benzyl-2-chloro-N-(1-hydroxybutyl)acetamide
CID 22342958
Acetamide, 2-chloro-N-(2,3-dihydroxypropyl)-N-(phenylmethyl)-, (S)-
CID 54269973
N-benzyl-2-chloro-N-(2-hydroxyethyl)propanamide
CID 60949796

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutan-2-yl]-2-chloropropanamide?
The IUPAC name of N-benzyl-N-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutan-2-yl]-2-chloropropanamide (CID 123376623) is N-benzyl-N-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutan-2-yl]-2-chloropropanamide.
What is the SMILES notation for N-benzyl-N-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutan-2-yl]-2-chloropropanamide?
The canonical SMILES for N-benzyl-N-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutan-2-yl]-2-chloropropanamide is CC(Cl)C(=O)N(Cc1ccccc1)C(CO)C(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of N-benzyl-N-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutan-2-yl]-2-chloropropanamide?
The InChIKey is SGLQKJVSQVGCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34ClNO3Si/c1-15(21)19(24)22(13-17-11-9-8-10-12-17)18(14-23)16(2)25-26(6,7)20(3,4)5/h8-12,15-16,18,23H,13-14H2,1-7H3.
What are the key properties of N-benzyl-N-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutan-2-yl]-2-chloropropanamide?
N-benzyl-N-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutan-2-yl]-2-chloropropanamide has a molecular weight of 400.04 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutan-2-yl]-2-chloropropanamide is sourced from PubChem (CID 123376623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).