tert-butyl N-[(Z)-[(2S)-2-phenylpropylidene]amino]carbamate

C14H20N2O2 — CID 9074824

IUPACtert-butyl N-[(Z)-[(2S)-2-phenylpropylidene]amino]carbamate
SMILESC[C@H](/C=N\NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C14H20N2O2/c1-11(12-8-6-5-7-9-12)10-15-16-13(17)18-14(2,3)4/h5-11H,1-4H3,(H,16,17)/b15-10-/t11-/m1/s1
InChIKeyIFCWQZCZIZUXNI-MKVLZVNKSA-N
MW248.33 g/mol
LogP3.30
Rot. Bonds3

About tert-butyl N-[(Z)-[(2S)-2-phenylpropylidene]amino]carbamate

tert-butyl N-[(Z)-[(2S)-2-phenylpropylidene]amino]carbamate (PubChem CID 9074824) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is tert-butyl N-[(Z)-[(2S)-2-phenylpropylidene]amino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-[(2S)-2-phenylpropylidene]amino]carbamate
PubChem CID9074824
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Nametert-butyl N-[(Z)-[(2S)-2-phenylpropylidene]amino]carbamate
SMILESC[C@H](/C=N\NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C14H20N2O2/c1-11(12-8-6-5-7-9-12)10-15-16-13(17)18-14(2,3)4/h5-11H,1-4H3,(H,16,17)/b15-10-/t11-/m1/s1
InChIKeyIFCWQZCZIZUXNI-MKVLZVNKSA-N
XLogP3.30
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenylpropylideneamino)-N'-[(E)-2-phenylpropylideneamino]oxamide
CID 21214243
ethyl N-[(Z)-[(2S)-2-phenylpropylidene]amino]carbamate
CID 7858390
tert-butyl N-(2-methyl-3-oxo-1-phenylpropyl)carbamate
CID 24788666
tert-butyl N-[(1R)-1-phenylethyl]carbamate;ethane
CID 143116605
tert-butyl N-[[(2R)-2,3-dihydroxypropylidene]amino]carbamate
CID 173325186
2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
CID 56828048
tert-butyl N-[(1R,2R)-1-hydroxy-3-methyl-1-phenylbutan-2-yl]carbamate
CID 102037533
tert-butyl N-[(1R,2R)-2-amino-1-phenylpropyl]carbamate
CID 102077726
N-(2-phenylpropylideneamino)heptanamide
CID 4588696
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetic acid;hydrochloride
CID 13017724
tert-butyl N-[2,3-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-diphenylbutyl]carbamate
CID 15294700
3-fluoro-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzamide
CID 7723125

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-[(2S)-2-phenylpropylidene]amino]carbamate?
The IUPAC name of tert-butyl N-[(Z)-[(2S)-2-phenylpropylidene]amino]carbamate (CID 9074824) is tert-butyl N-[(Z)-[(2S)-2-phenylpropylidene]amino]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-[(2S)-2-phenylpropylidene]amino]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-[(2S)-2-phenylpropylidene]amino]carbamate is C[C@H](/C=N\NC(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl N-[(Z)-[(2S)-2-phenylpropylidene]amino]carbamate?
The InChIKey is IFCWQZCZIZUXNI-MKVLZVNKSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11(12-8-6-5-7-9-12)10-15-16-13(17)18-14(2,3)4/h5-11H,1-4H3,(H,16,17)/b15-10-/t11-/m1/s1.
What are the key properties of tert-butyl N-[(Z)-[(2S)-2-phenylpropylidene]amino]carbamate?
tert-butyl N-[(Z)-[(2S)-2-phenylpropylidene]amino]carbamate has a molecular weight of 248.33 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z)-[(2S)-2-phenylpropylidene]amino]carbamate is sourced from PubChem (CID 9074824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).