methyl N-[(2,5-dimethoxyphenyl)methylideneamino]carbamate

C11H14N2O4 — CID 5087461

IUPACmethyl N-[(2,5-dimethoxyphenyl)methylideneamino]carbamate
SMILESCOC(=O)NN=Cc1cc(OC)ccc1OC
InChIInChI=1S/C11H14N2O4/c1-15-9-4-5-10(16-2)8(6-9)7-12-13-11(14)17-3/h4-7H,1-3H3,(H,13,14)
InChIKeyKYZNYPZJBLECEL-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.39
Rot. Bonds4

About methyl N-[(2,5-dimethoxyphenyl)methylideneamino]carbamate

methyl N-[(2,5-dimethoxyphenyl)methylideneamino]carbamate (PubChem CID 5087461) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is methyl N-[(2,5-dimethoxyphenyl)methylideneamino]carbamate.

Molecular Properties

Compound Namemethyl N-[(2,5-dimethoxyphenyl)methylideneamino]carbamate
PubChem CID5087461
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Namemethyl N-[(2,5-dimethoxyphenyl)methylideneamino]carbamate
SMILESCOC(=O)NN=Cc1cc(OC)ccc1OC
InChIInChI=1S/C11H14N2O4/c1-15-9-4-5-10(16-2)8(6-9)7-12-13-11(14)17-3/h4-7H,1-3H3,(H,13,14)
InChIKeyKYZNYPZJBLECEL-UHFFFAOYSA-N
XLogP1.39
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N'-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-N-methyloxamide
CID 126140196
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 6026549
N-[(2,5-dimethoxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 4193667
N-[(2,5-dimethoxyphenyl)methylideneamino]-2,2-diphenoxyacetamide
CID 3406373
N-[(2,5-dimethoxyphenyl)methylideneamino]-2-methoxy-4-methylbenzamide
CID 4304772
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]cyclohexanecarboxamide
CID 6113811
N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide
CID 4071709
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-fluorobenzamide
CID 5391556
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-3,4-dihydroxybenzamide;hydrate
CID 139077599
2-(4-chlorophenyl)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 6300942
2,4-dichloro-N-[(2,5-dimethoxyphenyl)methylideneamino]benzamide
CID 3623191
N-[(2,5-dimethoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 760358

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2,5-dimethoxyphenyl)methylideneamino]carbamate?
The IUPAC name of methyl N-[(2,5-dimethoxyphenyl)methylideneamino]carbamate (CID 5087461) is methyl N-[(2,5-dimethoxyphenyl)methylideneamino]carbamate.
What is the SMILES notation for methyl N-[(2,5-dimethoxyphenyl)methylideneamino]carbamate?
The canonical SMILES for methyl N-[(2,5-dimethoxyphenyl)methylideneamino]carbamate is COC(=O)NN=Cc1cc(OC)ccc1OC.
What is the InChIKey of methyl N-[(2,5-dimethoxyphenyl)methylideneamino]carbamate?
The InChIKey is KYZNYPZJBLECEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-15-9-4-5-10(16-2)8(6-9)7-12-13-11(14)17-3/h4-7H,1-3H3,(H,13,14).
What are the key properties of methyl N-[(2,5-dimethoxyphenyl)methylideneamino]carbamate?
methyl N-[(2,5-dimethoxyphenyl)methylideneamino]carbamate has a molecular weight of 238.24 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2,5-dimethoxyphenyl)methylideneamino]carbamate is sourced from PubChem (CID 5087461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).