[(Z)-1-(3-methoxyphenyl)ethylideneamino] N,N-dimethylcarbamate

C12H16N2O3 — CID 5380959

IUPAC[(Z)-1-(3-methoxyphenyl)ethylideneamino] N,N-dimethylcarbamate
SMILESCOc1cccc(/C(C)=N\OC(=O)N(C)C)c1
InChIInChI=1S/C12H16N2O3/c1-9(13-17-12(15)14(2)3)10-6-5-7-11(8-10)16-4/h5-8H,1-4H3/b13-9-
InChIKeyCGBNKKWDNLDFOE-LCYFTJDESA-N
MW236.27 g/mol
LogP2.12
Rot. Bonds3

About [(Z)-1-(3-methoxyphenyl)ethylideneamino] N,N-dimethylcarbamate

[(Z)-1-(3-methoxyphenyl)ethylideneamino] N,N-dimethylcarbamate (PubChem CID 5380959) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is [(Z)-1-(3-methoxyphenyl)ethylideneamino] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[(Z)-1-(3-methoxyphenyl)ethylideneamino] N,N-dimethylcarbamate
PubChem CID5380959
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name[(Z)-1-(3-methoxyphenyl)ethylideneamino] N,N-dimethylcarbamate
SMILESCOc1cccc(/C(C)=N\OC(=O)N(C)C)c1
InChIInChI=1S/C12H16N2O3/c1-9(13-17-12(15)14(2)3)10-6-5-7-11(8-10)16-4/h5-8H,1-4H3/b13-9-
InChIKeyCGBNKKWDNLDFOE-LCYFTJDESA-N
XLogP2.12
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

1-(3-Methoxyphenyl)ethanone [1-(3-methoxyphenyl)ethylidene]hydrazone
CID 5331696
(5R)-5-benzyl-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 71561710
(5S)-5-benzyl-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 71561711
1-(2-Methoxyphenyl)ethan-1-one oxime
CID 9601268
m-Anisaldehyde, O-(methylcarbamoyl)oxime
CID 5383236
Methanone, (3-(((methylaminocarbonyl)oxy)phenyl)phenyl)-, O-((methylamino)carbonyl)oxime
CID 6509886
2-Methoxyacetophenone, oxime
CID 5824625
N-[1,2-bis(3-methoxyphenyl)ethylidene]hydroxylamine
CID 231096
N-[bis(3-methoxyphenyl)methylidene]hydroxylamine
CID 44317688
5-(Fluoromethyl)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 102340042
N-[1-(2-methoxyphenyl)ethylidene]hydroxylamine
CID 339125
1-(4-Methoxyphenyl)ethanone o-methyloxime
CID 10910144

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-(3-methoxyphenyl)ethylideneamino] N,N-dimethylcarbamate?
The IUPAC name of [(Z)-1-(3-methoxyphenyl)ethylideneamino] N,N-dimethylcarbamate (CID 5380959) is [(Z)-1-(3-methoxyphenyl)ethylideneamino] N,N-dimethylcarbamate.
What is the SMILES notation for [(Z)-1-(3-methoxyphenyl)ethylideneamino] N,N-dimethylcarbamate?
The canonical SMILES for [(Z)-1-(3-methoxyphenyl)ethylideneamino] N,N-dimethylcarbamate is COc1cccc(/C(C)=N\OC(=O)N(C)C)c1.
What is the InChIKey of [(Z)-1-(3-methoxyphenyl)ethylideneamino] N,N-dimethylcarbamate?
The InChIKey is CGBNKKWDNLDFOE-LCYFTJDESA-N. The full InChI is InChI=1S/C12H16N2O3/c1-9(13-17-12(15)14(2)3)10-6-5-7-11(8-10)16-4/h5-8H,1-4H3/b13-9-.
What are the key properties of [(Z)-1-(3-methoxyphenyl)ethylideneamino] N,N-dimethylcarbamate?
[(Z)-1-(3-methoxyphenyl)ethylideneamino] N,N-dimethylcarbamate has a molecular weight of 236.27 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-(3-methoxyphenyl)ethylideneamino] N,N-dimethylcarbamate is sourced from PubChem (CID 5380959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).