tert-butyl N-[2-[[(Z)-3-hydrazinylprop-2-enyl]amino]phenyl]carbamate

C14H22N4O2 — CID 139395252

IUPACtert-butyl N-[2-[[(Z)-3-hydrazinylprop-2-enyl]amino]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccccc1NC/C=C\NN
InChIInChI=1S/C14H22N4O2/c1-14(2,3)20-13(19)18-12-8-5-4-7-11(12)16-9-6-10-17-15/h4-8,10,16-17H,9,15H2,1-3H3,(H,18,19)/b10-6-
InChIKeyNMSPUPNNJSDJLP-POHAHGRESA-N
MW278.36 g/mol
LogP2.42
Rot. Bonds5

About tert-butyl N-[2-[[(Z)-3-hydrazinylprop-2-enyl]amino]phenyl]carbamate

tert-butyl N-[2-[[(Z)-3-hydrazinylprop-2-enyl]amino]phenyl]carbamate (PubChem CID 139395252) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is tert-butyl N-[2-[[(Z)-3-hydrazinylprop-2-enyl]amino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[(Z)-3-hydrazinylprop-2-enyl]amino]phenyl]carbamate
PubChem CID139395252
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Nametert-butyl N-[2-[[(Z)-3-hydrazinylprop-2-enyl]amino]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccccc1NC/C=C\NN
InChIInChI=1S/C14H22N4O2/c1-14(2,3)20-13(19)18-12-8-5-4-7-11(12)16-9-6-10-17-15/h4-8,10,16-17H,9,15H2,1-3H3,(H,18,19)/b10-6-
InChIKeyNMSPUPNNJSDJLP-POHAHGRESA-N
XLogP2.42
TPSA88.41 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-(prop-1-enylamino)phenyl]carbamate
CID 150343828
tert-butyl N-[2-(2-methylpropylamino)phenyl]carbamate
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CID 4935485
tert-butyl N-[2-(2-aminoethoxy)phenyl]carbamate
CID 22620024
tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-(4-aminophenyl)carbamate
CID 159167301
tert-butyl N-[2-(1-aminopropan-2-yl)phenyl]carbamate
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tert-butyl N-[2-(2,2-difluoroethenyl)phenyl]carbamate
CID 169494610
tert-butyl N-[2-(hydroxymethyl)-3-methylphenyl]carbamate
CID 14368463
tert-butyl N-[2-[(Z)-2-[2-(hydroxymethyl)phenyl]ethenyl]phenyl]carbamate
CID 134839697
tert-butyl N-[2-(cycloheptylmethylamino)phenyl]carbamate
CID 107240333
tert-butyl N-[2-(3-hydroxypropyl)phenyl]carbamate
CID 23021010
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]anilino]butanoate
CID 107240144

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[(Z)-3-hydrazinylprop-2-enyl]amino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[(Z)-3-hydrazinylprop-2-enyl]amino]phenyl]carbamate (CID 139395252) is tert-butyl N-[2-[[(Z)-3-hydrazinylprop-2-enyl]amino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[(Z)-3-hydrazinylprop-2-enyl]amino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[(Z)-3-hydrazinylprop-2-enyl]amino]phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccccc1NC/C=C\NN.
What is the InChIKey of tert-butyl N-[2-[[(Z)-3-hydrazinylprop-2-enyl]amino]phenyl]carbamate?
The InChIKey is NMSPUPNNJSDJLP-POHAHGRESA-N. The full InChI is InChI=1S/C14H22N4O2/c1-14(2,3)20-13(19)18-12-8-5-4-7-11(12)16-9-6-10-17-15/h4-8,10,16-17H,9,15H2,1-3H3,(H,18,19)/b10-6-.
What are the key properties of tert-butyl N-[2-[[(Z)-3-hydrazinylprop-2-enyl]amino]phenyl]carbamate?
tert-butyl N-[2-[[(Z)-3-hydrazinylprop-2-enyl]amino]phenyl]carbamate has a molecular weight of 278.36 g/mol, XLogP of 2.42, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[(Z)-3-hydrazinylprop-2-enyl]amino]phenyl]carbamate is sourced from PubChem (CID 139395252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).