ethyl N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]carbamate

C13H18N2O2 — CID 9075723

IUPACethyl N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]carbamate
SMILESCCOC(=O)N/N=C(/C)c1cc(C)ccc1C
InChIInChI=1S/C13H18N2O2/c1-5-17-13(16)15-14-11(4)12-8-9(2)6-7-10(12)3/h6-8H,5H2,1-4H3,(H,15,16)/b14-11-
InChIKeyDMLREWLPTGHPGT-KAMYIIQDSA-N
MW234.30 g/mol
LogP2.77
Rot. Bonds3

About ethyl N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]carbamate

ethyl N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]carbamate (PubChem CID 9075723) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is ethyl N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]carbamate.

Molecular Properties

Compound Nameethyl N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]carbamate
PubChem CID9075723
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Nameethyl N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]carbamate
SMILESCCOC(=O)N/N=C(/C)c1cc(C)ccc1C
InChIInChI=1S/C13H18N2O2/c1-5-17-13(16)15-14-11(4)12-8-9(2)6-7-10(12)3/h6-8H,5H2,1-4H3,(H,15,16)/b14-11-
InChIKeyDMLREWLPTGHPGT-KAMYIIQDSA-N
XLogP2.77
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.77
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-[(Z)-1-(2-methylphenyl)ethylideneamino]carbamate
CID 87901864
tert-butyl N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]carbamate
CID 9074515
ethyl N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]carbamate
CID 6015437
N'-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]oxamide
CID 9120782
methyl N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamate
CID 135730431
ethyl N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]carbamate
CID 135758776
ethyl N-[1-(4-hydroxyphenyl)ethylideneamino]carbamate
CID 2739255
4-chloro-N-[1-(2,5-dimethylphenyl)ethylideneamino]benzamide
CID 689927
(E)-1-(2,5-dimethylphenyl)-N-ethoxyethanimine
CID 89246077
ethyl N-[(Z)-1-(2-oxochromen-3-yl)ethylideneamino]carbamate
CID 8972749
N-[(E)-1-(2,5-dimethylphenyl)ethylideneamino]-2,5-dihydroxybenzamide
CID 17337800
tert-butyl N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamate
CID 135730413

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]carbamate?
The IUPAC name of ethyl N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]carbamate (CID 9075723) is ethyl N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]carbamate.
What is the SMILES notation for ethyl N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]carbamate?
The canonical SMILES for ethyl N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]carbamate is CCOC(=O)N/N=C(/C)c1cc(C)ccc1C.
What is the InChIKey of ethyl N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]carbamate?
The InChIKey is DMLREWLPTGHPGT-KAMYIIQDSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-5-17-13(16)15-14-11(4)12-8-9(2)6-7-10(12)3/h6-8H,5H2,1-4H3,(H,15,16)/b14-11-.
What are the key properties of ethyl N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]carbamate?
ethyl N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]carbamate has a molecular weight of 234.30 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]carbamate is sourced from PubChem (CID 9075723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).