tert-butyl N-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-benzhydrylcarbamate

C24H32N2O3 — CID 70053306

IUPACtert-butyl N-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-benzhydrylcarbamate
SMILESCC(C)(C)OC(=O)N(C(=O)[C@@H](N)C(C)(C)C)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H32N2O3/c1-23(2,3)20(25)21(27)26(22(28)29-24(4,5)6)19(17-13-9-7-10-14-17)18-15-11-8-12-16-18/h7-16,19-20H,25H2,1-6H3/t20-/m1/s1
InChIKeyUOEUTDBWFLJJKW-HXUWFJFHSA-N
MW396.53 g/mol
LogP4.91
Rot. Bonds4

About tert-butyl N-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-benzhydrylcarbamate

tert-butyl N-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-benzhydrylcarbamate (PubChem CID 70053306) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is tert-butyl N-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-benzhydrylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-benzhydrylcarbamate
PubChem CID70053306
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Nametert-butyl N-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-benzhydrylcarbamate
SMILESCC(C)(C)OC(=O)N(C(=O)[C@@H](N)C(C)(C)C)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H32N2O3/c1-23(2,3)20(25)21(27)26(22(28)29-24(4,5)6)19(17-13-9-7-10-14-17)18-15-11-8-12-16-18/h7-16,19-20H,25H2,1-6H3/t20-/m1/s1
InChIKeyUOEUTDBWFLJJKW-HXUWFJFHSA-N
XLogP4.91
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 57224835
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tert-butyl N-benzoyl-N-propan-2-ylcarbamate
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tert-butyl 3-chloro-3-oxo-2-phenylpropanoate
CID 20529658
tert-butyl 3-hydroxy-2-methyl-3-phenylpropanoate
CID 571985
tert-butyl 2-(dimethylamino)-3-hydroxy-3-phenylpropanoate
CID 24977280
tert-butyl N,N-bis(3-oxo-1-phenylpropyl)carbamate
CID 87661307
tert-butyl N-amino-N-[(2S)-2-amino-3-phenylpropanoyl]carbamate
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tert-butyl N-amino-N-[(2R)-2-amino-3-phenylpropanoyl]carbamate
CID 154179314

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-benzhydrylcarbamate?
The IUPAC name of tert-butyl N-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-benzhydrylcarbamate (CID 70053306) is tert-butyl N-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-benzhydrylcarbamate.
What is the SMILES notation for tert-butyl N-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-benzhydrylcarbamate?
The canonical SMILES for tert-butyl N-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-benzhydrylcarbamate is CC(C)(C)OC(=O)N(C(=O)[C@@H](N)C(C)(C)C)C(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl N-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-benzhydrylcarbamate?
The InChIKey is UOEUTDBWFLJJKW-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-23(2,3)20(25)21(27)26(22(28)29-24(4,5)6)19(17-13-9-7-10-14-17)18-15-11-8-12-16-18/h7-16,19-20H,25H2,1-6H3/t20-/m1/s1.
What are the key properties of tert-butyl N-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-benzhydrylcarbamate?
tert-butyl N-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-benzhydrylcarbamate has a molecular weight of 396.53 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-benzhydrylcarbamate is sourced from PubChem (CID 70053306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).