tert-butyl N-benzyl-N-[phenyl(trimethylstannyl)methyl]carbamate

C22H31NO2Sn — CID 177468393

IUPACtert-butyl N-benzyl-N-[phenyl(trimethylstannyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccccc1)C(c1ccccc1)[Sn](C)(C)C
InChIInChI=1S/C19H22NO2.3CH3.Sn/c1-19(2,3)22-18(21)20(14-16-10-6-4-7-11-16)15-17-12-8-5-9-13-17;;;;/h4-14H,15H2,1-3H3;3*1H3;
InChIKeyGJHGUNXQMFYPPN-UHFFFAOYSA-N
MW460.21 g/mol
LogP6.04
Rot. Bonds5

About tert-butyl N-benzyl-N-[phenyl(trimethylstannyl)methyl]carbamate

tert-butyl N-benzyl-N-[phenyl(trimethylstannyl)methyl]carbamate (PubChem CID 177468393) has the molecular formula C22H31NO2Sn and a molecular weight of 460.21 g/mol. Its IUPAC name is tert-butyl N-benzyl-N-[phenyl(trimethylstannyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-benzyl-N-[phenyl(trimethylstannyl)methyl]carbamate
PubChem CID177468393
Molecular FormulaC22H31NO2Sn
Molecular Weight460.21 g/mol
Exact Mass461.14
IUPAC Nametert-butyl N-benzyl-N-[phenyl(trimethylstannyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccccc1)C(c1ccccc1)[Sn](C)(C)C
InChIInChI=1S/C19H22NO2.3CH3.Sn/c1-19(2,3)22-18(21)20(14-16-10-6-4-7-11-16)15-17-12-8-5-9-13-17;;;;/h4-14H,15H2,1-3H3;3*1H3;
InChIKeyGJHGUNXQMFYPPN-UHFFFAOYSA-N
XLogP6.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.21
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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methyl 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
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tert-butyl N-benzyl-N-(1-hydroxy-3-methylsulfanylpropan-2-yl)carbamate
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tert-butyl N-benzyl-N-[(2S)-2-hydroxy-2-phenylethyl]carbamate
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tert-butyl N-benzyl-N-(methylamino)carbamate
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tert-butyl N-[2-(1-phenylethylamino)ethyl]-N-propan-2-ylcarbamate
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methyl 3-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
CID 155572646
tert-butyl N-benzyl-N-[(3R)-2-[dimethyl(phenyl)silyl]-4-methylpent-1-en-3-yl]carbamate
CID 11575431
tert-butyl N-benzyl-N-[(3S)-2-[dimethyl(phenyl)silyl]-4-methylpent-1-en-3-yl]carbamate
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tert-butyl N-benzyl-N-formylcarbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-benzyl-N-[phenyl(trimethylstannyl)methyl]carbamate?
The IUPAC name of tert-butyl N-benzyl-N-[phenyl(trimethylstannyl)methyl]carbamate (CID 177468393) is tert-butyl N-benzyl-N-[phenyl(trimethylstannyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-benzyl-N-[phenyl(trimethylstannyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-benzyl-N-[phenyl(trimethylstannyl)methyl]carbamate is CC(C)(C)OC(=O)N(Cc1ccccc1)C(c1ccccc1)[Sn](C)(C)C.
What is the InChIKey of tert-butyl N-benzyl-N-[phenyl(trimethylstannyl)methyl]carbamate?
The InChIKey is GJHGUNXQMFYPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22NO2.3CH3.Sn/c1-19(2,3)22-18(21)20(14-16-10-6-4-7-11-16)15-17-12-8-5-9-13-17;;;;/h4-14H,15H2,1-3H3;3*1H3;.
What are the key properties of tert-butyl N-benzyl-N-[phenyl(trimethylstannyl)methyl]carbamate?
tert-butyl N-benzyl-N-[phenyl(trimethylstannyl)methyl]carbamate has a molecular weight of 460.21 g/mol, XLogP of 6.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-benzyl-N-[phenyl(trimethylstannyl)methyl]carbamate is sourced from PubChem (CID 177468393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).