methoxy N-methylmethanimidate;methyl N-methylcarbamate;1-methyl-3-[(3-methylphenyl)methyl]benzene

C21H30N2O4 — CID 157153171

IUPACmethoxy N-methylmethanimidate;methyl N-methylcarbamate;1-methyl-3-[(3-methylphenyl)methyl]benzene
SMILESC/N=C/OOC.CNC(=O)OC.Cc1cccc(Cc2cccc(C)c2)c1
InChIInChI=1S/C15H16.2C3H7NO2/c1-12-5-3-7-14(9-12)11-15-8-4-6-13(2)10-15;1-4-3(5)6-2;1-4-3-6-5-2/h3-10H,11H2,1-2H3;1-2H3,(H,4,5);3H,1-2H3/b;;4-3+
InChIKeyALMNEDPAAKTAOL-VJJINTEWSA-N
MW374.48 g/mol
LogP4.09
Rot. Bonds4

About methoxy N-methylmethanimidate;methyl N-methylcarbamate;1-methyl-3-[(3-methylphenyl)methyl]benzene

methoxy N-methylmethanimidate;methyl N-methylcarbamate;1-methyl-3-[(3-methylphenyl)methyl]benzene (PubChem CID 157153171) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is methoxy N-methylmethanimidate;methyl N-methylcarbamate;1-methyl-3-[(3-methylphenyl)methyl]benzene.

Molecular Properties

Compound Namemethoxy N-methylmethanimidate;methyl N-methylcarbamate;1-methyl-3-[(3-methylphenyl)methyl]benzene
PubChem CID157153171
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Namemethoxy N-methylmethanimidate;methyl N-methylcarbamate;1-methyl-3-[(3-methylphenyl)methyl]benzene
SMILESC/N=C/OOC.CNC(=O)OC.Cc1cccc(Cc2cccc(C)c2)c1
InChIInChI=1S/C15H16.2C3H7NO2/c1-12-5-3-7-14(9-12)11-15-8-4-6-13(2)10-15;1-4-3(5)6-2;1-4-3-6-5-2/h3-10H,11H2,1-2H3;1-2H3,(H,4,5);3H,1-2H3/b;;4-3+
InChIKeyALMNEDPAAKTAOL-VJJINTEWSA-N
XLogP4.09
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

Methyl (2,2-diphenylvinyl)carbamate
CID 85945577
1,1'-Biphenyl;methylcarbamic acid
CID 68131033
1,1'-Biphenyl;diisocyanatomethane;ethyl carbamate
CID 88470098
benzene;ethane;methylimino(oxo)methane;methyl N-methylcarbamate
CID 91100560
benzylbenzene;methylimino(oxo)methane;methyl N-methylcarbamate
CID 161473770
Benzylbenzene;methyl carbamate
CID 161881697
1,1'-biphenyl;bis(N-methylcarbamate)
CID 21497726

Frequently Asked Questions

What is the IUPAC name of methoxy N-methylmethanimidate;methyl N-methylcarbamate;1-methyl-3-[(3-methylphenyl)methyl]benzene?
The IUPAC name of methoxy N-methylmethanimidate;methyl N-methylcarbamate;1-methyl-3-[(3-methylphenyl)methyl]benzene (CID 157153171) is methoxy N-methylmethanimidate;methyl N-methylcarbamate;1-methyl-3-[(3-methylphenyl)methyl]benzene.
What is the SMILES notation for methoxy N-methylmethanimidate;methyl N-methylcarbamate;1-methyl-3-[(3-methylphenyl)methyl]benzene?
The canonical SMILES for methoxy N-methylmethanimidate;methyl N-methylcarbamate;1-methyl-3-[(3-methylphenyl)methyl]benzene is C/N=C/OOC.CNC(=O)OC.Cc1cccc(Cc2cccc(C)c2)c1.
What is the InChIKey of methoxy N-methylmethanimidate;methyl N-methylcarbamate;1-methyl-3-[(3-methylphenyl)methyl]benzene?
The InChIKey is ALMNEDPAAKTAOL-VJJINTEWSA-N. The full InChI is InChI=1S/C15H16.2C3H7NO2/c1-12-5-3-7-14(9-12)11-15-8-4-6-13(2)10-15;1-4-3(5)6-2;1-4-3-6-5-2/h3-10H,11H2,1-2H3;1-2H3,(H,4,5);3H,1-2H3/b;;4-3+.
What are the key properties of methoxy N-methylmethanimidate;methyl N-methylcarbamate;1-methyl-3-[(3-methylphenyl)methyl]benzene?
methoxy N-methylmethanimidate;methyl N-methylcarbamate;1-methyl-3-[(3-methylphenyl)methyl]benzene has a molecular weight of 374.48 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy N-methylmethanimidate;methyl N-methylcarbamate;1-methyl-3-[(3-methylphenyl)methyl]benzene is sourced from PubChem (CID 157153171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).