ethyl N-[(Z)-1-(2-methylphenyl)ethylideneamino]carbamate

C12H16N2O2 — CID 87901864

IUPACethyl N-[(Z)-1-(2-methylphenyl)ethylideneamino]carbamate
SMILESCCOC(=O)N/N=C(/C)c1ccccc1C
InChIInChI=1S/C12H16N2O2/c1-4-16-12(15)14-13-10(3)11-8-6-5-7-9(11)2/h5-8H,4H2,1-3H3,(H,14,15)/b13-10-
InChIKeyZIHDNHYLMZDDJP-RAXLEYEMSA-N
MW220.27 g/mol
LogP2.47
Rot. Bonds3

About ethyl N-[(Z)-1-(2-methylphenyl)ethylideneamino]carbamate

ethyl N-[(Z)-1-(2-methylphenyl)ethylideneamino]carbamate (PubChem CID 87901864) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is ethyl N-[(Z)-1-(2-methylphenyl)ethylideneamino]carbamate.

Molecular Properties

Compound Nameethyl N-[(Z)-1-(2-methylphenyl)ethylideneamino]carbamate
PubChem CID87901864
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Nameethyl N-[(Z)-1-(2-methylphenyl)ethylideneamino]carbamate
SMILESCCOC(=O)N/N=C(/C)c1ccccc1C
InChIInChI=1S/C12H16N2O2/c1-4-16-12(15)14-13-10(3)11-8-6-5-7-9(11)2/h5-8H,4H2,1-3H3,(H,14,15)/b13-10-
InChIKeyZIHDNHYLMZDDJP-RAXLEYEMSA-N
XLogP2.47
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.47
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-(2,5-dimethylphenyl)ethylideneamino]carbamate
CID 9075723
tert-butyl N-[(Z)-1-(2-methylphenyl)ethylideneamino]carbamate
CID 9074489
ethyl N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]carbamate
CID 6015437
ethyl N-[(Z)-1-(2-oxochromen-3-yl)ethylideneamino]carbamate
CID 8972749
ethyl N-[1-(4-hydroxyphenyl)ethylideneamino]carbamate
CID 2739255
ethyl N-[(1-oxo-1-phenylpropan-2-ylidene)amino]carbamate
CID 5085967
ethyl N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]carbamate
CID 135758776
[1-(2-methylphenyl)ethylideneamino]thiourea
CID 76872325
ethyl N-(1-pyridin-3-ylethylideneamino)carbamate
CID 4153346
2-methyl-N-[1-[4-[C-methyl-N-[(2-methylbenzoyl)amino]carbonimidoyl]phenyl]ethylideneamino]benzamide
CID 6792340
ethyl N-[(Z)-1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]carbamate
CID 9075990
ethyl N-[(E)-(2-methylphenyl)methylideneamino]carbamate
CID 6861612

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(Z)-1-(2-methylphenyl)ethylideneamino]carbamate?
The IUPAC name of ethyl N-[(Z)-1-(2-methylphenyl)ethylideneamino]carbamate (CID 87901864) is ethyl N-[(Z)-1-(2-methylphenyl)ethylideneamino]carbamate.
What is the SMILES notation for ethyl N-[(Z)-1-(2-methylphenyl)ethylideneamino]carbamate?
The canonical SMILES for ethyl N-[(Z)-1-(2-methylphenyl)ethylideneamino]carbamate is CCOC(=O)N/N=C(/C)c1ccccc1C.
What is the InChIKey of ethyl N-[(Z)-1-(2-methylphenyl)ethylideneamino]carbamate?
The InChIKey is ZIHDNHYLMZDDJP-RAXLEYEMSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-4-16-12(15)14-13-10(3)11-8-6-5-7-9(11)2/h5-8H,4H2,1-3H3,(H,14,15)/b13-10-.
What are the key properties of ethyl N-[(Z)-1-(2-methylphenyl)ethylideneamino]carbamate?
ethyl N-[(Z)-1-(2-methylphenyl)ethylideneamino]carbamate has a molecular weight of 220.27 g/mol, XLogP of 2.47, 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-methylphenyl)ethylideneamino]carbamate is sourced from PubChem (CID 87901864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).