tert-butyl N-[(2Z)-2-amino-2-[(E)-benzylidenehydrazinylidene]ethyl]carbamate

C14H20N4O2 — CID 54672196

IUPACtert-butyl N-[(2Z)-2-amino-2-[(E)-benzylidenehydrazinylidene]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NC/C(N)=N/N=C/c1ccccc1
InChIInChI=1S/C14H20N4O2/c1-14(2,3)20-13(19)16-10-12(15)18-17-9-11-7-5-4-6-8-11/h4-9H,10H2,1-3H3,(H2,15,18)(H,16,19)/b17-9+
InChIKeyRBYBAFRZPKKIOR-RQZCQDPDSA-N
MW276.34 g/mol
LogP1.90
Rot. Bonds4

About tert-butyl N-[(2Z)-2-amino-2-[(E)-benzylidenehydrazinylidene]ethyl]carbamate

tert-butyl N-[(2Z)-2-amino-2-[(E)-benzylidenehydrazinylidene]ethyl]carbamate (PubChem CID 54672196) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is tert-butyl N-[(2Z)-2-amino-2-[(E)-benzylidenehydrazinylidene]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2Z)-2-amino-2-[(E)-benzylidenehydrazinylidene]ethyl]carbamate
PubChem CID54672196
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Nametert-butyl N-[(2Z)-2-amino-2-[(E)-benzylidenehydrazinylidene]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NC/C(N)=N/N=C/c1ccccc1
InChIInChI=1S/C14H20N4O2/c1-14(2,3)20-13(19)16-10-12(15)18-17-9-11-7-5-4-6-8-11/h4-9H,10H2,1-3H3,(H2,15,18)(H,16,19)/b17-9+
InChIKeyRBYBAFRZPKKIOR-RQZCQDPDSA-N
XLogP1.90
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl N-[(2Z)-2-amino-2-[(E)-benzylidenehydrazinylidene]ethyl]carbamate 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

[(E)-3-phenylprop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 5386708
tert-butyl N-[[4-[(benzylideneamino)methyl]phenyl]methyl]carbamate
CID 101473638
ethyl (2E,4E)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-phenylpenta-2,4-dienoate
CID 11587986
2-phenylethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 11851409
tert-butyl N-[2-(benzylamino)-2-oxoethyl]carbamate;methanamine
CID 145259972
tert-butyl N-[2-[(4-hydroxyphenyl)methylideneamino]ethyl]carbamate
CID 2795733
tert-butyl N-[2-oxo-2-[[2-oxo-2-(phenylmethoxyamino)ethyl]amino]ethyl]carbamate
CID 10382434
[4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]oxymethyl]phenyl]methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 11004906
tert-butyl N-[2-[N-(dimethylcarbamoyl)anilino]-2-oxoethyl]carbamate
CID 69441199
tert-butyl N-[(Z)-2-phenylsulfanylbut-2-enyl]carbamate
CID 10660338
benzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate;3-methoxyprop-1-ene
CID 153402053
tert-butyl N-(3-phenylprop-2-enoyl)carbamate
CID 123902044

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2Z)-2-amino-2-[(E)-benzylidenehydrazinylidene]ethyl]carbamate?
The IUPAC name of tert-butyl N-[(2Z)-2-amino-2-[(E)-benzylidenehydrazinylidene]ethyl]carbamate (CID 54672196) is tert-butyl N-[(2Z)-2-amino-2-[(E)-benzylidenehydrazinylidene]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2Z)-2-amino-2-[(E)-benzylidenehydrazinylidene]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(2Z)-2-amino-2-[(E)-benzylidenehydrazinylidene]ethyl]carbamate is CC(C)(C)OC(=O)NC/C(N)=N/N=C/c1ccccc1.
What is the InChIKey of tert-butyl N-[(2Z)-2-amino-2-[(E)-benzylidenehydrazinylidene]ethyl]carbamate?
The InChIKey is RBYBAFRZPKKIOR-RQZCQDPDSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-14(2,3)20-13(19)16-10-12(15)18-17-9-11-7-5-4-6-8-11/h4-9H,10H2,1-3H3,(H2,15,18)(H,16,19)/b17-9+.
What are the key properties of tert-butyl N-[(2Z)-2-amino-2-[(E)-benzylidenehydrazinylidene]ethyl]carbamate?
tert-butyl N-[(2Z)-2-amino-2-[(E)-benzylidenehydrazinylidene]ethyl]carbamate has a molecular weight of 276.34 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2Z)-2-amino-2-[(E)-benzylidenehydrazinylidene]ethyl]carbamate is sourced from PubChem (CID 54672196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).