tripropan-2-yl 3-N-(2-methoxyphenyl)-1-N,5-N-bis(2-methylphenyl)benzene-1,3,5-tricarboximidate

C39H45N3O4 — CID 122577767

IUPACtripropan-2-yl 3-N-(2-methoxyphenyl)-1-N,5-N-bis(2-methylphenyl)benzene-1,3,5-tricarboximidate
SMILESCOc1ccccc1/N=C(\OC(C)C)c1cc(/C(=N/c2ccccc2C)OC(C)C)cc(/C(=N/c2ccccc2C)OC(C)C)c1
InChIInChI=1S/C39H45N3O4/c1-25(2)44-37(40-33-18-12-10-16-28(33)7)30-22-31(38(45-26(3)4)41-34-19-13-11-17-29(34)8)24-32(23-30)39(46-27(5)6)42-35-20-14-15-21-36(35)43-9/h10-27H,1-9H3/b40-37-,41-38-,42-39-
InChIKeyLCNZFUQGWLFYLA-KXXMNHFISA-N
MW619.81 g/mol
LogP9.82
Rot. Bonds10

About tripropan-2-yl 3-N-(2-methoxyphenyl)-1-N,5-N-bis(2-methylphenyl)benzene-1,3,5-tricarboximidate

tripropan-2-yl 3-N-(2-methoxyphenyl)-1-N,5-N-bis(2-methylphenyl)benzene-1,3,5-tricarboximidate (PubChem CID 122577767) has the molecular formula C39H45N3O4 and a molecular weight of 619.81 g/mol. Its IUPAC name is tripropan-2-yl 3-N-(2-methoxyphenyl)-1-N,5-N-bis(2-methylphenyl)benzene-1,3,5-tricarboximidate.

Molecular Properties

Compound Nametripropan-2-yl 3-N-(2-methoxyphenyl)-1-N,5-N-bis(2-methylphenyl)benzene-1,3,5-tricarboximidate
PubChem CID122577767
Molecular FormulaC39H45N3O4
Molecular Weight619.81 g/mol
Exact Mass619.34
IUPAC Nametripropan-2-yl 3-N-(2-methoxyphenyl)-1-N,5-N-bis(2-methylphenyl)benzene-1,3,5-tricarboximidate
SMILESCOc1ccccc1/N=C(\OC(C)C)c1cc(/C(=N/c2ccccc2C)OC(C)C)cc(/C(=N/c2ccccc2C)OC(C)C)c1
InChIInChI=1S/C39H45N3O4/c1-25(2)44-37(40-33-18-12-10-16-28(33)7)30-22-31(38(45-26(3)4)41-34-19-13-11-17-29(34)8)24-32(23-30)39(46-27(5)6)42-35-20-14-15-21-36(35)43-9/h10-27H,1-9H3/b40-37-,41-38-,42-39-
InChIKeyLCNZFUQGWLFYLA-KXXMNHFISA-N
XLogP9.82
TPSA74.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.81
LogP ≤ 59.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze tripropan-2-yl 3-N-(2-methoxyphenyl)-1-N,5-N-bis(2-methylphenyl)benzene-1,3,5-tricarboximidate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propan-2-yl 3,4,5-trimethoxy-N-phenylbenzenecarboximidate
CID 122577799
N-(2-methoxyphenyl)-N'-(2-methylphenyl)ethanimidamide
CID 20660876
bis(2-methoxyphenyl)diazene
CID 11947
[N-(2-methoxyphenyl)-C-(trifluoromethyl)carbonimidoyl]oxy-triphenylphosphanium
CID 10029511
propan-2-yl 2,6-dimethyl-N-propan-2-ylbenzenecarboximidate
CID 159155439
(2-methylphenyl)methyl N'-(2-methoxyphenyl)carbamimidothioate
CID 8776504
N-(2-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanimine
CID 118868219
1-(2-methoxynaphthalen-1-yl)-N-(2-methylphenyl)-1-phenylmethanimine
CID 3777936
dimethyl 2-(2-methoxyphenyl)iminobutanedioate
CID 90950078
methanol;1-methoxy-2-methylbenzene;hydrate;hydrochloride
CID 155598920
benzyl N-[4-[[phenyl(phenylmethoxy)methylidene]amino]phenyl]benzenecarboximidate;ethyl N-[4-[4-[[ethoxy(phenyl)methylidene]amino]phenyl]phenyl]benzenecarboximidate;methyl N-[2-chloro-4-[3-chloro-4-[[methoxy(phenyl)methylidene]amino]phenyl]phenyl]benzenecarboximidate;methyl 2-methoxy-N-[4-[[methoxy-(2-methoxyphenyl)methylidene]amino]phenyl]benzenecarboximidate;methyl N-[4-[3-methoxy-4-[[methoxy(phenyl)methylidene]amino]phenyl]-2-methylphenyl]benzenecarboximidate;methyl N-[4-[[methoxy-(2-phenylmethoxyphenyl)methylidene]amino]phenyl]-2-phenylmethoxybenzenecarboximidate;methyl N-[4-[[methoxy(phenyl)methylidene]amino]-2,5-dimethylphenyl]benzenecarboximidate;methyl N-[3-[[methoxy(phenyl)methylidene]amino]-4-methylphenyl]benzenecarboximidate;methyl N-[4-[[methoxy(phenyl)methylidene]amino]naphthalen-1-yl]benzenecarboximidate;methyl N-[5-[[methoxy(phenyl)methylidene]amino]naphthalen-1-yl]benzenecarboximidate;methyl N-[4-[[methoxy(phenyl)methylidene]amino]-2,3,5,6-tetramethylphenyl]benzenecarboximidate;propan-2-yl N-[4-[4-[[phenyl(propan-2-yloxy)methylidene]amino]phenyl]phenyl]benzenecarboximidate
CID 160595833
1-(1,4-dimethylpyrazol-5-yl)-N-(2-methoxyphenyl)ethanimine
CID 90461233

Frequently Asked Questions

What is the IUPAC name of tripropan-2-yl 3-N-(2-methoxyphenyl)-1-N,5-N-bis(2-methylphenyl)benzene-1,3,5-tricarboximidate?
The IUPAC name of tripropan-2-yl 3-N-(2-methoxyphenyl)-1-N,5-N-bis(2-methylphenyl)benzene-1,3,5-tricarboximidate (CID 122577767) is tripropan-2-yl 3-N-(2-methoxyphenyl)-1-N,5-N-bis(2-methylphenyl)benzene-1,3,5-tricarboximidate.
What is the SMILES notation for tripropan-2-yl 3-N-(2-methoxyphenyl)-1-N,5-N-bis(2-methylphenyl)benzene-1,3,5-tricarboximidate?
The canonical SMILES for tripropan-2-yl 3-N-(2-methoxyphenyl)-1-N,5-N-bis(2-methylphenyl)benzene-1,3,5-tricarboximidate is COc1ccccc1/N=C(\OC(C)C)c1cc(/C(=N/c2ccccc2C)OC(C)C)cc(/C(=N/c2ccccc2C)OC(C)C)c1.
What is the InChIKey of tripropan-2-yl 3-N-(2-methoxyphenyl)-1-N,5-N-bis(2-methylphenyl)benzene-1,3,5-tricarboximidate?
The InChIKey is LCNZFUQGWLFYLA-KXXMNHFISA-N. The full InChI is InChI=1S/C39H45N3O4/c1-25(2)44-37(40-33-18-12-10-16-28(33)7)30-22-31(38(45-26(3)4)41-34-19-13-11-17-29(34)8)24-32(23-30)39(46-27(5)6)42-35-20-14-15-21-36(35)43-9/h10-27H,1-9H3/b40-37-,41-38-,42-39-.
What are the key properties of tripropan-2-yl 3-N-(2-methoxyphenyl)-1-N,5-N-bis(2-methylphenyl)benzene-1,3,5-tricarboximidate?
tripropan-2-yl 3-N-(2-methoxyphenyl)-1-N,5-N-bis(2-methylphenyl)benzene-1,3,5-tricarboximidate has a molecular weight of 619.81 g/mol, XLogP of 9.82, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tripropan-2-yl 3-N-(2-methoxyphenyl)-1-N,5-N-bis(2-methylphenyl)benzene-1,3,5-tricarboximidate is sourced from PubChem (CID 122577767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).