methyl 2-[[1-(dimethylamino)-2-phenylethylidene]amino]acetate

C13H18N2O2 — CID 134893890

IUPACmethyl 2-[[1-(dimethylamino)-2-phenylethylidene]amino]acetate
SMILESCOC(=O)C/N=C(/Cc1ccccc1)N(C)C
InChIInChI=1S/C13H18N2O2/c1-15(2)12(14-10-13(16)17-3)9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3/b14-12-
InChIKeyROUKIGMJHLBUEN-OWBHPGMISA-N
MW234.30 g/mol
LogP1.36
Rot. Bonds4

About methyl 2-[[1-(dimethylamino)-2-phenylethylidene]amino]acetate

methyl 2-[[1-(dimethylamino)-2-phenylethylidene]amino]acetate (PubChem CID 134893890) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is methyl 2-[[1-(dimethylamino)-2-phenylethylidene]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[1-(dimethylamino)-2-phenylethylidene]amino]acetate
PubChem CID134893890
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Namemethyl 2-[[1-(dimethylamino)-2-phenylethylidene]amino]acetate
SMILESCOC(=O)C/N=C(/Cc1ccccc1)N(C)C
InChIInChI=1S/C13H18N2O2/c1-15(2)12(14-10-13(16)17-3)9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3/b14-12-
InChIKeyROUKIGMJHLBUEN-OWBHPGMISA-N
XLogP1.36
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(dimethylamino)-2-phenylethylidene]amino]acetate?
The IUPAC name of methyl 2-[[1-(dimethylamino)-2-phenylethylidene]amino]acetate (CID 134893890) is methyl 2-[[1-(dimethylamino)-2-phenylethylidene]amino]acetate.
What is the SMILES notation for methyl 2-[[1-(dimethylamino)-2-phenylethylidene]amino]acetate?
The canonical SMILES for methyl 2-[[1-(dimethylamino)-2-phenylethylidene]amino]acetate is COC(=O)C/N=C(/Cc1ccccc1)N(C)C.
What is the InChIKey of methyl 2-[[1-(dimethylamino)-2-phenylethylidene]amino]acetate?
The InChIKey is ROUKIGMJHLBUEN-OWBHPGMISA-N. The full InChI is InChI=1S/C13H18N2O2/c1-15(2)12(14-10-13(16)17-3)9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3/b14-12-.
What are the key properties of methyl 2-[[1-(dimethylamino)-2-phenylethylidene]amino]acetate?
methyl 2-[[1-(dimethylamino)-2-phenylethylidene]amino]acetate has a molecular weight of 234.30 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(dimethylamino)-2-phenylethylidene]amino]acetate is sourced from PubChem (CID 134893890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).