methyl N-[4-[[methoxy-(2-phenylmethoxyphenyl)methylidene]amino]cyclohexa-1,3-dien-1-yl]-2-phenylmethoxybenzenecarboximidate

C36H34N2O4 — CID 144967866

IUPACmethyl N-[4-[[methoxy-(2-phenylmethoxyphenyl)methylidene]amino]cyclohexa-1,3-dien-1-yl]-2-phenylmethoxybenzenecarboximidate
SMILESCO/C(=N\C1=CC=C(/N=C(\OC)c2ccccc2OCc2ccccc2)CC1)c1ccccc1OCc1ccccc1
InChIInChI=1S/C36H34N2O4/c1-39-35(31-17-9-11-19-33(31)41-25-27-13-5-3-6-14-27)37-29-21-23-30(24-22-29)38-36(40-2)32-18-10-12-20-34(32)42-26-28-15-7-4-8-16-28/h3-21,23H,22,24-26H2,1-2H3/b37-35-,38-36-
InChIKeyOMRJMOYLVPYAMT-JXPYRENWSA-N
MW558.68 g/mol
LogP7.89
Rot. Bonds10

About methyl N-[4-[[methoxy-(2-phenylmethoxyphenyl)methylidene]amino]cyclohexa-1,3-dien-1-yl]-2-phenylmethoxybenzenecarboximidate

methyl N-[4-[[methoxy-(2-phenylmethoxyphenyl)methylidene]amino]cyclohexa-1,3-dien-1-yl]-2-phenylmethoxybenzenecarboximidate (PubChem CID 144967866) has the molecular formula C36H34N2O4 and a molecular weight of 558.68 g/mol. Its IUPAC name is methyl N-[4-[[methoxy-(2-phenylmethoxyphenyl)methylidene]amino]cyclohexa-1,3-dien-1-yl]-2-phenylmethoxybenzenecarboximidate.

Molecular Properties

Compound Namemethyl N-[4-[[methoxy-(2-phenylmethoxyphenyl)methylidene]amino]cyclohexa-1,3-dien-1-yl]-2-phenylmethoxybenzenecarboximidate
PubChem CID144967866
Molecular FormulaC36H34N2O4
Molecular Weight558.68 g/mol
Exact Mass558.25
IUPAC Namemethyl N-[4-[[methoxy-(2-phenylmethoxyphenyl)methylidene]amino]cyclohexa-1,3-dien-1-yl]-2-phenylmethoxybenzenecarboximidate
SMILESCO/C(=N\C1=CC=C(/N=C(\OC)c2ccccc2OCc2ccccc2)CC1)c1ccccc1OCc1ccccc1
InChIInChI=1S/C36H34N2O4/c1-39-35(31-17-9-11-19-33(31)41-25-27-13-5-3-6-14-27)37-29-21-23-30(24-22-29)38-36(40-2)32-18-10-12-20-34(32)42-26-28-15-7-4-8-16-28/h3-21,23H,22,24-26H2,1-2H3/b37-35-,38-36-
InChIKeyOMRJMOYLVPYAMT-JXPYRENWSA-N
XLogP7.89
TPSA61.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.68
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

dimethyl (E)-2,3-bis(2-phenylmethoxyphenyl)but-2-enedioate
CID 135020990
2-phenylmethoxy-N-(propan-2-ylideneamino)benzamide
CID 5200532
methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate
CID 14323673
N'-amino-2-phenylmethoxybenzenecarboximidamide
CID 54032335
N-tert-butyl-2-phenylmethoxybenzamide
CID 4946348
2-phenylmethoxy-N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]benzamide
CID 8714658
2-phenylmethoxybenzoyl chloride
CID 10999355
1-(1-cyclopropylethenyl)-2-phenylmethoxybenzene
CID 175668306
N'-benzoyl-2-phenylmethoxybenzohydrazide
CID 4938014
3-methoxy-2-(2-phenylmethoxyphenyl)prop-2-enoic acid
CID 54476802
N-[(E)-1,1-diphenylpropan-2-ylideneamino]-2-phenylmethoxybenzamide
CID 54785183
2-bromo-1-(2-phenylmethoxyphenyl)ethanone
CID 12541850

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[[methoxy-(2-phenylmethoxyphenyl)methylidene]amino]cyclohexa-1,3-dien-1-yl]-2-phenylmethoxybenzenecarboximidate?
The IUPAC name of methyl N-[4-[[methoxy-(2-phenylmethoxyphenyl)methylidene]amino]cyclohexa-1,3-dien-1-yl]-2-phenylmethoxybenzenecarboximidate (CID 144967866) is methyl N-[4-[[methoxy-(2-phenylmethoxyphenyl)methylidene]amino]cyclohexa-1,3-dien-1-yl]-2-phenylmethoxybenzenecarboximidate.
What is the SMILES notation for methyl N-[4-[[methoxy-(2-phenylmethoxyphenyl)methylidene]amino]cyclohexa-1,3-dien-1-yl]-2-phenylmethoxybenzenecarboximidate?
The canonical SMILES for methyl N-[4-[[methoxy-(2-phenylmethoxyphenyl)methylidene]amino]cyclohexa-1,3-dien-1-yl]-2-phenylmethoxybenzenecarboximidate is CO/C(=N\C1=CC=C(/N=C(\OC)c2ccccc2OCc2ccccc2)CC1)c1ccccc1OCc1ccccc1.
What is the InChIKey of methyl N-[4-[[methoxy-(2-phenylmethoxyphenyl)methylidene]amino]cyclohexa-1,3-dien-1-yl]-2-phenylmethoxybenzenecarboximidate?
The InChIKey is OMRJMOYLVPYAMT-JXPYRENWSA-N. The full InChI is InChI=1S/C36H34N2O4/c1-39-35(31-17-9-11-19-33(31)41-25-27-13-5-3-6-14-27)37-29-21-23-30(24-22-29)38-36(40-2)32-18-10-12-20-34(32)42-26-28-15-7-4-8-16-28/h3-21,23H,22,24-26H2,1-2H3/b37-35-,38-36-.
What are the key properties of methyl N-[4-[[methoxy-(2-phenylmethoxyphenyl)methylidene]amino]cyclohexa-1,3-dien-1-yl]-2-phenylmethoxybenzenecarboximidate?
methyl N-[4-[[methoxy-(2-phenylmethoxyphenyl)methylidene]amino]cyclohexa-1,3-dien-1-yl]-2-phenylmethoxybenzenecarboximidate has a molecular weight of 558.68 g/mol, XLogP of 7.89, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[[methoxy-(2-phenylmethoxyphenyl)methylidene]amino]cyclohexa-1,3-dien-1-yl]-2-phenylmethoxybenzenecarboximidate is sourced from PubChem (CID 144967866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).