N'-ethenyl-3-methoxy-4-phenylmethoxybenzenecarboximidamide

C17H18N2O2 — CID 143003503

IUPACN'-ethenyl-3-methoxy-4-phenylmethoxybenzenecarboximidamide
SMILESC=C/N=C(\N)c1ccc(OCc2ccccc2)c(OC)c1
InChIInChI=1S/C17H18N2O2/c1-3-19-17(18)14-9-10-15(16(11-14)20-2)21-12-13-7-5-4-6-8-13/h3-11H,1,12H2,2H3,(H2,18,19)
InChIKeyDQOBZQGWDLZYAJ-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.12
Rot. Bonds6

About N'-ethenyl-3-methoxy-4-phenylmethoxybenzenecarboximidamide

N'-ethenyl-3-methoxy-4-phenylmethoxybenzenecarboximidamide (PubChem CID 143003503) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N'-ethenyl-3-methoxy-4-phenylmethoxybenzenecarboximidamide.

Molecular Properties

Compound NameN'-ethenyl-3-methoxy-4-phenylmethoxybenzenecarboximidamide
PubChem CID143003503
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN'-ethenyl-3-methoxy-4-phenylmethoxybenzenecarboximidamide
SMILESC=C/N=C(\N)c1ccc(OCc2ccccc2)c(OC)c1
InChIInChI=1S/C17H18N2O2/c1-3-19-17(18)14-9-10-15(16(11-14)20-2)21-12-13-7-5-4-6-8-13/h3-11H,1,12H2,2H3,(H2,18,19)
InChIKeyDQOBZQGWDLZYAJ-UHFFFAOYSA-N
XLogP3.12
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
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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Related Compounds

3-methoxy-4-phenylmethoxybenzenecarbothioamide
CID 7745260
4-methoxy-3-phenylmethoxybenzamide
CID 22467475
3-methoxy-4-phenylmethoxyaniline
CID 27226
3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191
4-(iodomethyl)-2-methoxy-1-phenylmethoxybenzene
CID 11164050
dimethyl (2R,3S)-2,3-bis(3-methoxy-4-phenylmethoxybenzoyl)butanedioate
CID 11050415
N'-hydroxy-3-methoxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 24706507
N'-hydroxy-3-methoxy-4-prop-2-enoxybenzenecarboximidamide
CID 54847117
N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate
CID 145103744
ethyl (E)-3-(3-methoxy-4-phenylmethoxyphenyl)but-2-enoate
CID 23087678
2,3-bis[(3-methoxy-4-phenylmethoxyphenyl)methylidene]butanedial
CID 85426297
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412

Frequently Asked Questions

What is the IUPAC name of N'-ethenyl-3-methoxy-4-phenylmethoxybenzenecarboximidamide?
The IUPAC name of N'-ethenyl-3-methoxy-4-phenylmethoxybenzenecarboximidamide (CID 143003503) is N'-ethenyl-3-methoxy-4-phenylmethoxybenzenecarboximidamide.
What is the SMILES notation for N'-ethenyl-3-methoxy-4-phenylmethoxybenzenecarboximidamide?
The canonical SMILES for N'-ethenyl-3-methoxy-4-phenylmethoxybenzenecarboximidamide is C=C/N=C(\N)c1ccc(OCc2ccccc2)c(OC)c1.
What is the InChIKey of N'-ethenyl-3-methoxy-4-phenylmethoxybenzenecarboximidamide?
The InChIKey is DQOBZQGWDLZYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-3-19-17(18)14-9-10-15(16(11-14)20-2)21-12-13-7-5-4-6-8-13/h3-11H,1,12H2,2H3,(H2,18,19).
What are the key properties of N'-ethenyl-3-methoxy-4-phenylmethoxybenzenecarboximidamide?
N'-ethenyl-3-methoxy-4-phenylmethoxybenzenecarboximidamide has a molecular weight of 282.34 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-3-methoxy-4-phenylmethoxybenzenecarboximidamide is sourced from PubChem (CID 143003503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).