tert-butyl (2S)-2-methyl-2-(naphthalen-2-ylmethylideneamino)-3-phenylpropanoate

C25H27NO2 — CID 11014197

IUPACtert-butyl (2S)-2-methyl-2-(naphthalen-2-ylmethylideneamino)-3-phenylpropanoate
SMILESCC(C)(C)OC(=O)[C@](C)(Cc1ccccc1)/N=C/c1ccc2ccccc2c1
InChIInChI=1S/C25H27NO2/c1-24(2,3)28-23(27)25(4,17-19-10-6-5-7-11-19)26-18-20-14-15-21-12-8-9-13-22(21)16-20/h5-16,18H,17H2,1-4H3/b26-18+/t25-/m0/s1
InChIKeyVZCPGLZDPQPMCV-YYLNTILESA-N
MW373.50 g/mol
LogP5.60
Rot. Bonds5

About tert-butyl (2S)-2-methyl-2-(naphthalen-2-ylmethylideneamino)-3-phenylpropanoate

tert-butyl (2S)-2-methyl-2-(naphthalen-2-ylmethylideneamino)-3-phenylpropanoate (PubChem CID 11014197) has the molecular formula C25H27NO2 and a molecular weight of 373.50 g/mol. Its IUPAC name is tert-butyl (2S)-2-methyl-2-(naphthalen-2-ylmethylideneamino)-3-phenylpropanoate.

Molecular Properties

Compound Nametert-butyl (2S)-2-methyl-2-(naphthalen-2-ylmethylideneamino)-3-phenylpropanoate
PubChem CID11014197
Molecular FormulaC25H27NO2
Molecular Weight373.50 g/mol
Exact Mass373.20
IUPAC Nametert-butyl (2S)-2-methyl-2-(naphthalen-2-ylmethylideneamino)-3-phenylpropanoate
SMILESCC(C)(C)OC(=O)[C@](C)(Cc1ccccc1)/N=C/c1ccc2ccccc2c1
InChIInChI=1S/C25H27NO2/c1-24(2,3)28-23(27)25(4,17-19-10-6-5-7-11-19)26-18-20-14-15-21-12-8-9-13-22(21)16-20/h5-16,18H,17H2,1-4H3/b26-18+/t25-/m0/s1
InChIKeyVZCPGLZDPQPMCV-YYLNTILESA-N
XLogP5.60
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze tert-butyl (2S)-2-methyl-2-(naphthalen-2-ylmethylideneamino)-3-phenylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-Benzhydrylidene-4-(trifluoromethyl)-L-phenylalanine tert-butyl ester
CID 10950488
tert-butyl (2S)-3-(2,6-difluorophenyl)-2-methyl-2-(naphthalen-2-ylmethylideneamino)propanoate
CID 11112341
tert-butyl (2S)-3-(2-fluorophenyl)-2-methyl-2-(naphthalen-2-ylmethylideneamino)propanoate
CID 11143656
tert-butyl (2R)-2-(benzhydrylideneamino)-3-[4-(trifluoromethyl)phenyl]propanoate
CID 164677790
tert-butyl (2R)-2-(benzhydrylideneamino)-3-phenylpropanoate
CID 10178160
tert-butyl (2S)-2-(benzhydrylideneamino)-3-phenylpropanoate
CID 11326620
Tert-butyl 2-(benzhydrylideneamino)-3-naphthalen-2-ylpropanoate
CID 11476053
Tert-butyl-2-(benzhydrylideneamino)-3-phenylpropionate
CID 11825189
t-Butyl 3-phenyl-2-benzylideneaminopropionate
CID 14083133
tert-Butyl N-(naphthalen-2-yl-methylidene)alaninate
CID 24755707
Tert-butyl 2-(benzhydrylideneamino)-3-(4-phenylphenyl)propanoate
CID 88934752
Tert-butyl 2-(benzhydrylideneamino)-3-(4-methylphenyl)propanoate
CID 134976412

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-methyl-2-(naphthalen-2-ylmethylideneamino)-3-phenylpropanoate?
The IUPAC name of tert-butyl (2S)-2-methyl-2-(naphthalen-2-ylmethylideneamino)-3-phenylpropanoate (CID 11014197) is tert-butyl (2S)-2-methyl-2-(naphthalen-2-ylmethylideneamino)-3-phenylpropanoate.
What is the SMILES notation for tert-butyl (2S)-2-methyl-2-(naphthalen-2-ylmethylideneamino)-3-phenylpropanoate?
The canonical SMILES for tert-butyl (2S)-2-methyl-2-(naphthalen-2-ylmethylideneamino)-3-phenylpropanoate is CC(C)(C)OC(=O)[C@](C)(Cc1ccccc1)/N=C/c1ccc2ccccc2c1.
What is the InChIKey of tert-butyl (2S)-2-methyl-2-(naphthalen-2-ylmethylideneamino)-3-phenylpropanoate?
The InChIKey is VZCPGLZDPQPMCV-YYLNTILESA-N. The full InChI is InChI=1S/C25H27NO2/c1-24(2,3)28-23(27)25(4,17-19-10-6-5-7-11-19)26-18-20-14-15-21-12-8-9-13-22(21)16-20/h5-16,18H,17H2,1-4H3/b26-18+/t25-/m0/s1.
What are the key properties of tert-butyl (2S)-2-methyl-2-(naphthalen-2-ylmethylideneamino)-3-phenylpropanoate?
tert-butyl (2S)-2-methyl-2-(naphthalen-2-ylmethylideneamino)-3-phenylpropanoate has a molecular weight of 373.50 g/mol, XLogP of 5.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-methyl-2-(naphthalen-2-ylmethylideneamino)-3-phenylpropanoate is sourced from PubChem (CID 11014197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).