methyl N-(4-anilino-2-methoxyphenyl)iminocarbamate

C15H15N3O3 — CID 155908090

IUPACmethyl N-(4-anilino-2-methoxyphenyl)iminocarbamate
SMILESCOC(=O)/N=N/c1ccc(Nc2ccccc2)cc1OC
InChIInChI=1S/C15H15N3O3/c1-20-14-10-12(16-11-6-4-3-5-7-11)8-9-13(14)17-18-15(19)21-2/h3-10,16H,1-2H3/b18-17+
InChIKeyHMEZLJRHULDLLE-ISLYRVAYSA-N
MW285.30 g/mol
LogP4.29
Rot. Bonds4

About methyl N-(4-anilino-2-methoxyphenyl)iminocarbamate

methyl N-(4-anilino-2-methoxyphenyl)iminocarbamate (PubChem CID 155908090) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is methyl N-(4-anilino-2-methoxyphenyl)iminocarbamate.

Molecular Properties

Compound Namemethyl N-(4-anilino-2-methoxyphenyl)iminocarbamate
PubChem CID155908090
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Namemethyl N-(4-anilino-2-methoxyphenyl)iminocarbamate
SMILESCOC(=O)/N=N/c1ccc(Nc2ccccc2)cc1OC
InChIInChI=1S/C15H15N3O3/c1-20-14-10-12(16-11-6-4-3-5-7-11)8-9-13(14)17-18-15(19)21-2/h3-10,16H,1-2H3/b18-17+
InChIKeyHMEZLJRHULDLLE-ISLYRVAYSA-N
XLogP4.29
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

1-(4-anilino-2-methoxyphenyl)-3-phenylurea
CID 110179401
1-(4-anilino-2-methoxyphenyl)-3-methylurea
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methyl N-(3-methoxy-2-methylphenyl)iminocarbamate
CID 155907995
4-methoxy-3-methyl-N-phenylaniline
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1-N-iodo-2-methoxy-4-N-phenylbenzene-1,4-diamine
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CID 59099871
CID 59099871
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CID 166639984
4-anilino-2-methoxybenzenediazonium bromide
CID 19770680
3-methoxy-4-methyl-N-phenylaniline;4-methylbenzenesulfonic acid
CID 91301925
N'-(3,4-dimethoxyphenyl)-N-phenyloxamide
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N-(4-hydroxy-2-methoxyphenyl)iminoacetamide
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3-methoxy-4-methyl-N-phenylaniline;oxido sulfite
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Frequently Asked Questions

What is the IUPAC name of methyl N-(4-anilino-2-methoxyphenyl)iminocarbamate?
The IUPAC name of methyl N-(4-anilino-2-methoxyphenyl)iminocarbamate (CID 155908090) is methyl N-(4-anilino-2-methoxyphenyl)iminocarbamate.
What is the SMILES notation for methyl N-(4-anilino-2-methoxyphenyl)iminocarbamate?
The canonical SMILES for methyl N-(4-anilino-2-methoxyphenyl)iminocarbamate is COC(=O)/N=N/c1ccc(Nc2ccccc2)cc1OC.
What is the InChIKey of methyl N-(4-anilino-2-methoxyphenyl)iminocarbamate?
The InChIKey is HMEZLJRHULDLLE-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-20-14-10-12(16-11-6-4-3-5-7-11)8-9-13(14)17-18-15(19)21-2/h3-10,16H,1-2H3/b18-17+.
What are the key properties of methyl N-(4-anilino-2-methoxyphenyl)iminocarbamate?
methyl N-(4-anilino-2-methoxyphenyl)iminocarbamate has a molecular weight of 285.30 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-anilino-2-methoxyphenyl)iminocarbamate is sourced from PubChem (CID 155908090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).