methyl N-(5-methoxy-2-methylphenyl)iminocarbamate

C10H12N2O3 — CID 155908077

IUPACmethyl N-(5-methoxy-2-methylphenyl)iminocarbamate
SMILESCOC(=O)/N=N/c1cc(OC)ccc1C
InChIInChI=1S/C10H12N2O3/c1-7-4-5-8(14-2)6-9(7)11-12-10(13)15-3/h4-6H,1-3H3/b12-11+
InChIKeyUWYPJXBNOQNUSN-VAWYXSNFSA-N
MW208.22 g/mol
LogP2.85
Rot. Bonds2

About methyl N-(5-methoxy-2-methylphenyl)iminocarbamate

methyl N-(5-methoxy-2-methylphenyl)iminocarbamate (PubChem CID 155908077) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is methyl N-(5-methoxy-2-methylphenyl)iminocarbamate.

Molecular Properties

Compound Namemethyl N-(5-methoxy-2-methylphenyl)iminocarbamate
PubChem CID155908077
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Namemethyl N-(5-methoxy-2-methylphenyl)iminocarbamate
SMILESCOC(=O)/N=N/c1cc(OC)ccc1C
InChIInChI=1S/C10H12N2O3/c1-7-4-5-8(14-2)6-9(7)11-12-10(13)15-3/h4-6H,1-3H3/b12-11+
InChIKeyUWYPJXBNOQNUSN-VAWYXSNFSA-N
XLogP2.85
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(5-methoxy-2-methylphenyl)acetate
CID 170997183
formaldehyde;4-methoxy-1,2-dimethylbenzene
CID 157089381
2-[(2-chloro-5-methoxyphenyl)diazenyl]-3-hydroxyhex-2-enoic acid
CID 175540748
2-(5-methoxy-2-methylanilino)acetic acid
CID 130496332
methyl (E)-3-(5-methoxy-2-methylphenyl)prop-2-enoate
CID 13415110
methyl 2-(dimethylaminomethylideneamino)-4-methoxybenzoate
CID 163274673
N-(5-methoxy-2-methylphenyl)-3-oxo-N-(3-oxobutanoyl)butanamide
CID 88742271
ethene;4-methoxy-1,2-dimethylbenzene
CID 145003805
(3,5-dimethoxyphenyl)-(4-methoxy-2-methylphenyl)methanone
CID 114965510
2-methoxy-1-(5-methoxy-2-methylphenyl)ethanone
CID 19880580
ethane;4-methoxy-1,2-dimethylbenzene;5-methoxy-1,2,3-trimethylbenzene
CID 171649028
2-tert-butyl-4-methoxy-1-methylbenzene;hydrofluoride
CID 157336845

Frequently Asked Questions

What is the IUPAC name of methyl N-(5-methoxy-2-methylphenyl)iminocarbamate?
The IUPAC name of methyl N-(5-methoxy-2-methylphenyl)iminocarbamate (CID 155908077) is methyl N-(5-methoxy-2-methylphenyl)iminocarbamate.
What is the SMILES notation for methyl N-(5-methoxy-2-methylphenyl)iminocarbamate?
The canonical SMILES for methyl N-(5-methoxy-2-methylphenyl)iminocarbamate is COC(=O)/N=N/c1cc(OC)ccc1C.
What is the InChIKey of methyl N-(5-methoxy-2-methylphenyl)iminocarbamate?
The InChIKey is UWYPJXBNOQNUSN-VAWYXSNFSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-7-4-5-8(14-2)6-9(7)11-12-10(13)15-3/h4-6H,1-3H3/b12-11+.
What are the key properties of methyl N-(5-methoxy-2-methylphenyl)iminocarbamate?
methyl N-(5-methoxy-2-methylphenyl)iminocarbamate has a molecular weight of 208.22 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(5-methoxy-2-methylphenyl)iminocarbamate is sourced from PubChem (CID 155908077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).