methyl 3-(benzhydrylideneamino)-3-cyclohexyloxypropanoate

C23H27NO3 — CID 164888049

IUPACmethyl 3-(benzhydrylideneamino)-3-cyclohexyloxypropanoate
SMILESCOC(=O)CC(N=C(c1ccccc1)c1ccccc1)OC1CCCCC1
InChIInChI=1S/C23H27NO3/c1-26-22(25)17-21(27-20-15-9-4-10-16-20)24-23(18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-3,5-8,11-14,20-21H,4,9-10,15-17H2,1H3
InChIKeyHNQMUXCWGKYAOM-UHFFFAOYSA-N
MW365.47 g/mol
LogP4.76
Rot. Bonds7

About methyl 3-(benzhydrylideneamino)-3-cyclohexyloxypropanoate

methyl 3-(benzhydrylideneamino)-3-cyclohexyloxypropanoate (PubChem CID 164888049) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is methyl 3-(benzhydrylideneamino)-3-cyclohexyloxypropanoate.

Molecular Properties

Compound Namemethyl 3-(benzhydrylideneamino)-3-cyclohexyloxypropanoate
PubChem CID164888049
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Namemethyl 3-(benzhydrylideneamino)-3-cyclohexyloxypropanoate
SMILESCOC(=O)CC(N=C(c1ccccc1)c1ccccc1)OC1CCCCC1
InChIInChI=1S/C23H27NO3/c1-26-22(25)17-21(27-20-15-9-4-10-16-20)24-23(18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-3,5-8,11-14,20-21H,4,9-10,15-17H2,1H3
InChIKeyHNQMUXCWGKYAOM-UHFFFAOYSA-N
XLogP4.76
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(benzhydrylideneamino)-3-trimethylsilylpropanoate
CID 164888051
1-O-benzyl 4-O-methyl 2-(benzhydrylideneamino)butanedioate
CID 164888054
methyl 3-cyclohexyloxybutanoate
CID 43612104
methyl 3-(benzhydrylideneamino)-3-(4-tert-butylphenyl)propanoate
CID 164888029
methyl (2R)-2-cyclohexyloxy-2-phenylacetate
CID 45114259
cyclohexyl 2-phenylacetate;methyl 2-phenylacetate
CID 5314269
methyl 2-[[2-(benzhydrylideneamino)acetyl]-methylamino]acetate
CID 15899479
methyl 3-(cycloheptylamino)-4-phenylbutanoate
CID 82351188
methyl 3-benzoyl-4-oxo-4-phenylbutanoate
CID 10979354
dimethyl (3R,4R)-3,4-diphenylhexanedioate
CID 10969442
methyl 3-methyl-4-oxo-4-phenylbutanoate
CID 10774657
methyl 3-[1-cyclohexylethyl(2,2-diphenylethenyl)amino]-3-oxopropanoate
CID 85354913

Frequently Asked Questions

What is the IUPAC name of methyl 3-(benzhydrylideneamino)-3-cyclohexyloxypropanoate?
The IUPAC name of methyl 3-(benzhydrylideneamino)-3-cyclohexyloxypropanoate (CID 164888049) is methyl 3-(benzhydrylideneamino)-3-cyclohexyloxypropanoate.
What is the SMILES notation for methyl 3-(benzhydrylideneamino)-3-cyclohexyloxypropanoate?
The canonical SMILES for methyl 3-(benzhydrylideneamino)-3-cyclohexyloxypropanoate is COC(=O)CC(N=C(c1ccccc1)c1ccccc1)OC1CCCCC1.
What is the InChIKey of methyl 3-(benzhydrylideneamino)-3-cyclohexyloxypropanoate?
The InChIKey is HNQMUXCWGKYAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c1-26-22(25)17-21(27-20-15-9-4-10-16-20)24-23(18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-3,5-8,11-14,20-21H,4,9-10,15-17H2,1H3.
What are the key properties of methyl 3-(benzhydrylideneamino)-3-cyclohexyloxypropanoate?
methyl 3-(benzhydrylideneamino)-3-cyclohexyloxypropanoate has a molecular weight of 365.47 g/mol, XLogP of 4.76, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(benzhydrylideneamino)-3-cyclohexyloxypropanoate is sourced from PubChem (CID 164888049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).