[(E)-ethylideneamino] N-[4-[[(E)-ethylideneamino]oxycarbonylamino]phenyl]carbamate

C12H14N4O4 — CID 141252091

IUPAC[(E)-ethylideneamino] N-[4-[[(E)-ethylideneamino]oxycarbonylamino]phenyl]carbamate
SMILESC/C=N/OC(=O)Nc1ccc(NC(=O)O/N=C/C)cc1
InChIInChI=1S/C12H14N4O4/c1-3-13-19-11(17)15-9-5-7-10(8-6-9)16-12(18)20-14-4-2/h3-8H,1-2H3,(H,15,17)(H,16,18)/b13-3+,14-4+
InChIKeyVCKDJADKFPNKLJ-NPJRDEIVSA-N
MW278.27 g/mol
LogP2.80
Rot. Bonds4

About [(E)-ethylideneamino] N-[4-[[(E)-ethylideneamino]oxycarbonylamino]phenyl]carbamate

[(E)-ethylideneamino] N-[4-[[(E)-ethylideneamino]oxycarbonylamino]phenyl]carbamate (PubChem CID 141252091) has the molecular formula C12H14N4O4 and a molecular weight of 278.27 g/mol. Its IUPAC name is [(E)-ethylideneamino] N-[4-[[(E)-ethylideneamino]oxycarbonylamino]phenyl]carbamate.

Molecular Properties

Compound Name[(E)-ethylideneamino] N-[4-[[(E)-ethylideneamino]oxycarbonylamino]phenyl]carbamate
PubChem CID141252091
Molecular FormulaC12H14N4O4
Molecular Weight278.27 g/mol
Exact Mass278.10
IUPAC Name[(E)-ethylideneamino] N-[4-[[(E)-ethylideneamino]oxycarbonylamino]phenyl]carbamate
SMILESC/C=N/OC(=O)Nc1ccc(NC(=O)O/N=C/C)cc1
InChIInChI=1S/C12H14N4O4/c1-3-13-19-11(17)15-9-5-7-10(8-6-9)16-12(18)20-14-4-2/h3-8H,1-2H3,(H,15,17)(H,16,18)/b13-3+,14-4+
InChIKeyVCKDJADKFPNKLJ-NPJRDEIVSA-N
XLogP2.80
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(Z)-benzylideneamino] N-(4-methylphenyl)carbamate
CID 5409159
[(Z)-benzylideneamino] N-(4-methoxyphenyl)carbamate
CID 5406978
[(E)-(4-bromophenyl)methylideneamino] N-(4-methylphenyl)carbamate
CID 6326497
[(2,4-dichloro-1,3-thiazol-5-yl)methylideneamino] N-(4-chlorophenyl)carbamate
CID 2778821
[(Z)-(2,5-dimethoxyphenyl)methylideneamino] N-(4-chlorophenyl)carbamate
CID 5400870
[(E)-(4-fluorophenyl)methylideneamino] N-(4-butoxyphenyl)carbamate
CID 20872751
[(5-chloro-1,3-dimethylpyrazol-4-yl)methylideneamino] N-(4-chlorophenyl)carbamate
CID 2777400
[(E)-ethylideneamino] benzoate
CID 59571787
[(E)-(2,4-difluorophenyl)methylideneamino] N-[4-(nonanoylamino)phenyl]carbamate
CID 20872681
[(E)-(4-nitrophenyl)methylideneamino] N-(4-chlorophenyl)carbamate
CID 5338215
[2-[(2-phenylacetyl)amino]ethylideneamino] N-(4-chlorophenyl)carbamate
CID 4141987
[(Z)-(4-nitrophenyl)methylideneamino] N-(4-chlorophenyl)carbamate
CID 5406979

Frequently Asked Questions

What is the IUPAC name of [(E)-ethylideneamino] N-[4-[[(E)-ethylideneamino]oxycarbonylamino]phenyl]carbamate?
The IUPAC name of [(E)-ethylideneamino] N-[4-[[(E)-ethylideneamino]oxycarbonylamino]phenyl]carbamate (CID 141252091) is [(E)-ethylideneamino] N-[4-[[(E)-ethylideneamino]oxycarbonylamino]phenyl]carbamate.
What is the SMILES notation for [(E)-ethylideneamino] N-[4-[[(E)-ethylideneamino]oxycarbonylamino]phenyl]carbamate?
The canonical SMILES for [(E)-ethylideneamino] N-[4-[[(E)-ethylideneamino]oxycarbonylamino]phenyl]carbamate is C/C=N/OC(=O)Nc1ccc(NC(=O)O/N=C/C)cc1.
What is the InChIKey of [(E)-ethylideneamino] N-[4-[[(E)-ethylideneamino]oxycarbonylamino]phenyl]carbamate?
The InChIKey is VCKDJADKFPNKLJ-NPJRDEIVSA-N. The full InChI is InChI=1S/C12H14N4O4/c1-3-13-19-11(17)15-9-5-7-10(8-6-9)16-12(18)20-14-4-2/h3-8H,1-2H3,(H,15,17)(H,16,18)/b13-3+,14-4+.
What are the key properties of [(E)-ethylideneamino] N-[4-[[(E)-ethylideneamino]oxycarbonylamino]phenyl]carbamate?
[(E)-ethylideneamino] N-[4-[[(E)-ethylideneamino]oxycarbonylamino]phenyl]carbamate has a molecular weight of 278.27 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-ethylideneamino] N-[4-[[(E)-ethylideneamino]oxycarbonylamino]phenyl]carbamate is sourced from PubChem (CID 141252091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).