ethyl N-[(Z)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]carbamate

C18H28N2O3 — CID 136749406

IUPACethyl N-[(Z)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]carbamate
SMILESCCOC(=O)N/N=C\c1cc(C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C18H28N2O3/c1-8-23-16(22)20-19-11-12-9-13(17(2,3)4)10-14(15(12)21)18(5,6)7/h9-11,21H,8H2,1-7H3,(H,20,22)/b19-11-
InChIKeyXUDLCPLPRKGUBZ-ODLFYWEKSA-N
MW320.43 g/mol
LogP4.07
Rot. Bonds3

About ethyl N-[(Z)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]carbamate

ethyl N-[(Z)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]carbamate (PubChem CID 136749406) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is ethyl N-[(Z)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]carbamate.

Molecular Properties

Compound Nameethyl N-[(Z)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]carbamate
PubChem CID136749406
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Nameethyl N-[(Z)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]carbamate
SMILESCCOC(=O)N/N=C\c1cc(C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C18H28N2O3/c1-8-23-16(22)20-19-11-12-9-13(17(2,3)4)10-14(15(12)21)18(5,6)7/h9-11,21H,8H2,1-7H3,(H,20,22)/b19-11-
InChIKeyXUDLCPLPRKGUBZ-ODLFYWEKSA-N
XLogP4.07
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]urea
CID 135824495
N-[(E)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 136934925
1-[(Z)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-3-phenylurea
CID 136690347
N-[[3-[(acetylhydrazinylidene)methyl]-5-tert-butyl-2-hydroxyphenyl]methylideneamino]acetamide
CID 829520
ethyl N-[(E)-(2-hydroxyphenyl)methylideneamino]carbamate
CID 135478857
2,4-ditert-butyl-6-[(E)-2-[(E)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]oxyethoxyiminomethyl]phenol
CID 135440193
2-[2-[benzyl(methyl)amino]ethyl-methylamino]-N-[(E)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]acetamide
CID 135896334
ethyl N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]carbamate
CID 4266436
potassium 2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-2-methylpropanoate
CID 156678583
ethyl N-[(E)-(2-methylphenyl)methylideneamino]carbamate
CID 6861612
CID 173199978
CID 173199978
[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]aluminum(2+)
CID 173083776

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(Z)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]carbamate?
The IUPAC name of ethyl N-[(Z)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]carbamate (CID 136749406) is ethyl N-[(Z)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]carbamate.
What is the SMILES notation for ethyl N-[(Z)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]carbamate?
The canonical SMILES for ethyl N-[(Z)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]carbamate is CCOC(=O)N/N=C\c1cc(C(C)(C)C)cc(C(C)(C)C)c1O.
What is the InChIKey of ethyl N-[(Z)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]carbamate?
The InChIKey is XUDLCPLPRKGUBZ-ODLFYWEKSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-8-23-16(22)20-19-11-12-9-13(17(2,3)4)10-14(15(12)21)18(5,6)7/h9-11,21H,8H2,1-7H3,(H,20,22)/b19-11-.
What are the key properties of ethyl N-[(Z)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]carbamate?
ethyl N-[(Z)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]carbamate has a molecular weight of 320.43 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(Z)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]carbamate is sourced from PubChem (CID 136749406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).