tert-butyl N-benzyl-N-[(2S)-1-[dimethyl(phenyl)silyl]-1-oxopropan-2-yl]carbamate

C23H31NO3Si — CID 134886997

IUPACtert-butyl N-benzyl-N-[(2S)-1-[dimethyl(phenyl)silyl]-1-oxopropan-2-yl]carbamate
SMILESC[C@@H](C(=O)[Si](C)(C)c1ccccc1)N(Cc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C23H31NO3Si/c1-18(21(25)28(5,6)20-15-11-8-12-16-20)24(22(26)27-23(2,3)4)17-19-13-9-7-10-14-19/h7-16,18H,17H2,1-6H3/t18-/m0/s1
InChIKeyJNWYEGCGZSQQOG-SFHVURJKSA-N
MW397.59 g/mol
LogP4.54
Rot. Bonds6

About tert-butyl N-benzyl-N-[(2S)-1-[dimethyl(phenyl)silyl]-1-oxopropan-2-yl]carbamate

tert-butyl N-benzyl-N-[(2S)-1-[dimethyl(phenyl)silyl]-1-oxopropan-2-yl]carbamate (PubChem CID 134886997) has the molecular formula C23H31NO3Si and a molecular weight of 397.59 g/mol. Its IUPAC name is tert-butyl N-benzyl-N-[(2S)-1-[dimethyl(phenyl)silyl]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-benzyl-N-[(2S)-1-[dimethyl(phenyl)silyl]-1-oxopropan-2-yl]carbamate
PubChem CID134886997
Molecular FormulaC23H31NO3Si
Molecular Weight397.59 g/mol
Exact Mass397.21
IUPAC Nametert-butyl N-benzyl-N-[(2S)-1-[dimethyl(phenyl)silyl]-1-oxopropan-2-yl]carbamate
SMILESC[C@@H](C(=O)[Si](C)(C)c1ccccc1)N(Cc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C23H31NO3Si/c1-18(21(25)28(5,6)20-15-11-8-12-16-20)24(22(26)27-23(2,3)4)17-19-13-9-7-10-14-19/h7-16,18H,17H2,1-6H3/t18-/m0/s1
InChIKeyJNWYEGCGZSQQOG-SFHVURJKSA-N
XLogP4.54
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.59
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl dibenzylcarbamate
CID 234958
Tert-butyl 2-phenylpiperidine-1-carboxylate
CID 11701654
tert-butyl N-methyl-N-(1-phenylethyl)carbamate
CID 20600734
Tert-butyl allyl(1-phenylbut-3-en-1-yl)carbamate
CID 72961447
bis{[N-(1-phenylethyl)]acetamidomethyl}difluorosilane
CID 12105588
tert-butyl 6-phenyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 15202060
tert-butyl N-[[dimethyl(phenyl)silyl]-phenylmethyl]carbamate
CID 102314408
Tert-butyl benzyl(3-phenylpropanoyl)carbamate
CID 5461478
tert-butyl N-benzyl-N-(prop-2-en-1-yl)carbamate
CID 10399734
(S)-3-dibenzylamino-butan-2-one
CID 11054649
tert-Butyl 2,4-dibenzylpiperazine-1-carboxylate
CID 12188792
tert-butyl N-methyl-N-[(1R)-1-phenylethyl]carbamate
CID 15215959

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-benzyl-N-[(2S)-1-[dimethyl(phenyl)silyl]-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-benzyl-N-[(2S)-1-[dimethyl(phenyl)silyl]-1-oxopropan-2-yl]carbamate (CID 134886997) is tert-butyl N-benzyl-N-[(2S)-1-[dimethyl(phenyl)silyl]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-benzyl-N-[(2S)-1-[dimethyl(phenyl)silyl]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-benzyl-N-[(2S)-1-[dimethyl(phenyl)silyl]-1-oxopropan-2-yl]carbamate is C[C@@H](C(=O)[Si](C)(C)c1ccccc1)N(Cc1ccccc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-benzyl-N-[(2S)-1-[dimethyl(phenyl)silyl]-1-oxopropan-2-yl]carbamate?
The InChIKey is JNWYEGCGZSQQOG-SFHVURJKSA-N. The full InChI is InChI=1S/C23H31NO3Si/c1-18(21(25)28(5,6)20-15-11-8-12-16-20)24(22(26)27-23(2,3)4)17-19-13-9-7-10-14-19/h7-16,18H,17H2,1-6H3/t18-/m0/s1.
What are the key properties of tert-butyl N-benzyl-N-[(2S)-1-[dimethyl(phenyl)silyl]-1-oxopropan-2-yl]carbamate?
tert-butyl N-benzyl-N-[(2S)-1-[dimethyl(phenyl)silyl]-1-oxopropan-2-yl]carbamate has a molecular weight of 397.59 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-benzyl-N-[(2S)-1-[dimethyl(phenyl)silyl]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 134886997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).