tert-butyl (NZ)-N-[amino-(4-ethylphenyl)methylidene]carbamate

C14H20N2O2 — CID 82480274

IUPACtert-butyl (NZ)-N-[amino-(4-ethylphenyl)methylidene]carbamate
SMILESCCc1ccc(/C(N)=N/C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C14H20N2O2/c1-5-10-6-8-11(9-7-10)12(15)16-13(17)18-14(2,3)4/h6-9H,5H2,1-4H3,(H2,15,16,17)
InChIKeyXHRKFWGQAWMSLU-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.89
Rot. Bonds2

About tert-butyl (NZ)-N-[amino-(4-ethylphenyl)methylidene]carbamate

tert-butyl (NZ)-N-[amino-(4-ethylphenyl)methylidene]carbamate (PubChem CID 82480274) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is tert-butyl (NZ)-N-[amino-(4-ethylphenyl)methylidene]carbamate.

Molecular Properties

Compound Nametert-butyl (NZ)-N-[amino-(4-ethylphenyl)methylidene]carbamate
PubChem CID82480274
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Nametert-butyl (NZ)-N-[amino-(4-ethylphenyl)methylidene]carbamate
SMILESCCc1ccc(/C(N)=N/C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C14H20N2O2/c1-5-10-6-8-11(9-7-10)12(15)16-13(17)18-14(2,3)4/h6-9H,5H2,1-4H3,(H2,15,16,17)
InChIKeyXHRKFWGQAWMSLU-UHFFFAOYSA-N
XLogP2.89
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(4-ethylphenyl)-N-[N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
CID 68781592
tert-butyl N-[amino-[4-(3-bromopropoxy)phenyl]methylidene]carbamate
CID 165083505
1-[4-[N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]phenyl]butyl formate
CID 54481576
methyl 3-[4-[N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]phenyl]prop-2-enoate
CID 77340011
tert-butyl N-[amino-[4-[2-(4-nitrophenoxy)ethyl]phenyl]methylidene]carbamate
CID 57198393
3-[(Z)-N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]benzoic acid
CID 44890914
ethyl 4-[N,N,N'-tris[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]benzoate
CID 54312800
benzyl (NZ)-N-[amino-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methylidene]carbamate
CID 18525446
tert-butyl (NZ)-N-[amino-[4-[2-(2-bromophenyl)ethylamino]phenyl]methylidene]carbamate
CID 20631697
4-ethyl-N'-[1-[(2-methylpropan-2-yl)oxy]ethenyl]benzohydrazide
CID 89153390
tert-butyl (NZ)-N-[amino-(2-chlorophenyl)methylidene]carbamate
CID 82482108
tert-butyl (NZ)-N-[amino-[4-[(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)carbamoyl]phenyl]methylidene]carbamate
CID 59909723

Frequently Asked Questions

What is the IUPAC name of tert-butyl (NZ)-N-[amino-(4-ethylphenyl)methylidene]carbamate?
The IUPAC name of tert-butyl (NZ)-N-[amino-(4-ethylphenyl)methylidene]carbamate (CID 82480274) is tert-butyl (NZ)-N-[amino-(4-ethylphenyl)methylidene]carbamate.
What is the SMILES notation for tert-butyl (NZ)-N-[amino-(4-ethylphenyl)methylidene]carbamate?
The canonical SMILES for tert-butyl (NZ)-N-[amino-(4-ethylphenyl)methylidene]carbamate is CCc1ccc(/C(N)=N/C(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl (NZ)-N-[amino-(4-ethylphenyl)methylidene]carbamate?
The InChIKey is XHRKFWGQAWMSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-5-10-6-8-11(9-7-10)12(15)16-13(17)18-14(2,3)4/h6-9H,5H2,1-4H3,(H2,15,16,17).
What are the key properties of tert-butyl (NZ)-N-[amino-(4-ethylphenyl)methylidene]carbamate?
tert-butyl (NZ)-N-[amino-(4-ethylphenyl)methylidene]carbamate has a molecular weight of 248.33 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (NZ)-N-[amino-(4-ethylphenyl)methylidene]carbamate is sourced from PubChem (CID 82480274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).