ethane;[(Z)-1-phenylethylideneamino] N-methylcarbamate

C12H18N2O2 — CID 172950425

IUPACethane;[(Z)-1-phenylethylideneamino] N-methylcarbamate
SMILESCC.CNC(=O)O/N=C(/C)c1ccccc1
InChIInChI=1S/C10H12N2O2.C2H6/c1-8(12-14-10(13)11-2)9-6-4-3-5-7-9;1-2/h3-7H,1-2H3,(H,11,13);1-2H3/b12-8-;
InChIKeyVDOUSHIUUMWLEE-JCTPKUEWSA-N
MW222.29 g/mol
LogP2.79
Rot. Bonds2

About ethane;[(Z)-1-phenylethylideneamino] N-methylcarbamate

ethane;[(Z)-1-phenylethylideneamino] N-methylcarbamate (PubChem CID 172950425) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is ethane;[(Z)-1-phenylethylideneamino] N-methylcarbamate.

Molecular Properties

Compound Nameethane;[(Z)-1-phenylethylideneamino] N-methylcarbamate
PubChem CID172950425
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Nameethane;[(Z)-1-phenylethylideneamino] N-methylcarbamate
SMILESCC.CNC(=O)O/N=C(/C)c1ccccc1
InChIInChI=1S/C10H12N2O2.C2H6/c1-8(12-14-10(13)11-2)9-6-4-3-5-7-9;1-2/h3-7H,1-2H3,(H,11,13);1-2H3/b12-8-;
InChIKeyVDOUSHIUUMWLEE-JCTPKUEWSA-N
XLogP2.79
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

[(E)-1-phenylethylideneamino] N-ethylcarbamate
CID 121217910
[(E)-1-phenylethylideneamino] acetate
CID 5392489
[(E)-1-phenylethylideneamino] 2-methylprop-2-enoate
CID 14745058
(1-phenylethylideneamino) naphthalene-2-carboxylate
CID 76708666
[(E)-1-phenylethylideneamino] 2-(4-chlorophenoxy)acetate
CID 6149846
(Z)-N-phenoxy-1-phenylethanimine
CID 42624945
[1-(3-phenylphenyl)ethylideneamino] N-(4-methoxyphenyl)carbamate
CID 75034418
[(E)-1-naphthalen-2-ylethylideneamino] benzoate
CID 18602824
(E)-1-phenyl-N-trimethylsilyloxyethanimine
CID 5352994
N-methylbenzamide
CID 11954
[1-(4-imidazol-1-ylphenyl)ethylideneamino] N-phenylcarbamate
CID 1487834
(Z)-2-N-methyl-1-phenylprop-1-ene-1,2-diamine
CID 145093299

Frequently Asked Questions

What is the IUPAC name of ethane;[(Z)-1-phenylethylideneamino] N-methylcarbamate?
The IUPAC name of ethane;[(Z)-1-phenylethylideneamino] N-methylcarbamate (CID 172950425) is ethane;[(Z)-1-phenylethylideneamino] N-methylcarbamate.
What is the SMILES notation for ethane;[(Z)-1-phenylethylideneamino] N-methylcarbamate?
The canonical SMILES for ethane;[(Z)-1-phenylethylideneamino] N-methylcarbamate is CC.CNC(=O)O/N=C(/C)c1ccccc1.
What is the InChIKey of ethane;[(Z)-1-phenylethylideneamino] N-methylcarbamate?
The InChIKey is VDOUSHIUUMWLEE-JCTPKUEWSA-N. The full InChI is InChI=1S/C10H12N2O2.C2H6/c1-8(12-14-10(13)11-2)9-6-4-3-5-7-9;1-2/h3-7H,1-2H3,(H,11,13);1-2H3/b12-8-;.
What are the key properties of ethane;[(Z)-1-phenylethylideneamino] N-methylcarbamate?
ethane;[(Z)-1-phenylethylideneamino] N-methylcarbamate has a molecular weight of 222.29 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(Z)-1-phenylethylideneamino] N-methylcarbamate is sourced from PubChem (CID 172950425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).