ethyl N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]carbamate

C13H18N2O2 — CID 6246560

IUPACethyl N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]carbamate
SMILESCCOC(=O)N/N=C\c1ccc(C(C)C)cc1
InChIInChI=1S/C13H18N2O2/c1-4-17-13(16)15-14-9-11-5-7-12(8-6-11)10(2)3/h5-10H,4H2,1-3H3,(H,15,16)/b14-9-
InChIKeyKSOQWXGDUYHQGI-ZROIWOOFSA-N
MW234.30 g/mol
LogP2.89
Rot. Bonds4

About ethyl N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]carbamate

ethyl N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]carbamate (PubChem CID 6246560) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is ethyl N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]carbamate.

Molecular Properties

Compound Nameethyl N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]carbamate
PubChem CID6246560
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Nameethyl N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]carbamate
SMILESCCOC(=O)N/N=C\c1ccc(C(C)C)cc1
InChIInChI=1S/C13H18N2O2/c1-4-17-13(16)15-14-9-11-5-7-12(8-6-11)10(2)3/h5-10H,4H2,1-3H3,(H,15,16)/b14-9-
InChIKeyKSOQWXGDUYHQGI-ZROIWOOFSA-N
XLogP2.89
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[(4-propan-2-ylphenyl)methylideneamino]carbamate
CID 5007900
ethyl 4-[(E)-(ethoxycarbonylhydrazinylidene)methyl]benzoate
CID 90120945
4-[(E)-(ethoxycarbonylhydrazinylidene)methyl]benzoic acid
CID 6861608
ethyl N-[(E)-pyridin-4-ylmethylideneamino]carbamate
CID 5365476
ethyl N-[(Z)-(3,4-dichlorophenyl)methylideneamino]carbamate
CID 5399198
ethyl N-[(E)-(3,4-dichlorophenyl)methylideneamino]carbamate
CID 6861622
ethyl N-[(E)-[4-(diethylamino)phenyl]methylideneamino]carbamate
CID 6861626
ethyl N-[(E)-(4-nitrophenyl)methylideneamino]carbamate
CID 6899031
ethyl N-[(Z)-naphthalen-2-ylmethylideneamino]carbamate
CID 5401750
ethyl N-[[4-(N-phenylanilino)phenyl]methylideneamino]carbamate
CID 4538267
ethyl N-[[4-(N-methylanilino)phenyl]methylideneamino]carbamate
CID 5093637
[4-[(E)-(ethoxycarbonylhydrazinylidene)methyl]phenyl] methanesulfonate
CID 134122547

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]carbamate?
The IUPAC name of ethyl N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]carbamate (CID 6246560) is ethyl N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]carbamate.
What is the SMILES notation for ethyl N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]carbamate?
The canonical SMILES for ethyl N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]carbamate is CCOC(=O)N/N=C\c1ccc(C(C)C)cc1.
What is the InChIKey of ethyl N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]carbamate?
The InChIKey is KSOQWXGDUYHQGI-ZROIWOOFSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-4-17-13(16)15-14-9-11-5-7-12(8-6-11)10(2)3/h5-10H,4H2,1-3H3,(H,15,16)/b14-9-.
What are the key properties of ethyl N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]carbamate?
ethyl N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]carbamate has a molecular weight of 234.30 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]carbamate is sourced from PubChem (CID 6246560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).