[(Z)-(7-methyl-1-phenyloct-6-en-3-ylidene)amino] 2-methoxyacetate

C18H25NO3 — CID 11738218

IUPAC[(Z)-(7-methyl-1-phenyloct-6-en-3-ylidene)amino] 2-methoxyacetate
SMILESCOCC(=O)O/N=C(/CCC=C(C)C)CCc1ccccc1
InChIInChI=1S/C18H25NO3/c1-15(2)8-7-11-17(19-22-18(20)14-21-3)13-12-16-9-5-4-6-10-16/h4-6,8-10H,7,11-14H2,1-3H3/b19-17-
InChIKeyCWMOSPLGBNTDKX-ZPHPHTNESA-N
MW303.40 g/mol
LogP3.91
Rot. Bonds9

About [(Z)-(7-methyl-1-phenyloct-6-en-3-ylidene)amino] 2-methoxyacetate

[(Z)-(7-methyl-1-phenyloct-6-en-3-ylidene)amino] 2-methoxyacetate (PubChem CID 11738218) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is [(Z)-(7-methyl-1-phenyloct-6-en-3-ylidene)amino] 2-methoxyacetate.

Molecular Properties

Compound Name[(Z)-(7-methyl-1-phenyloct-6-en-3-ylidene)amino] 2-methoxyacetate
PubChem CID11738218
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name[(Z)-(7-methyl-1-phenyloct-6-en-3-ylidene)amino] 2-methoxyacetate
SMILESCOCC(=O)O/N=C(/CCC=C(C)C)CCc1ccccc1
InChIInChI=1S/C18H25NO3/c1-15(2)8-7-11-17(19-22-18(20)14-21-3)13-12-16-9-5-4-6-10-16/h4-6,8-10H,7,11-14H2,1-3H3/b19-17-
InChIKeyCWMOSPLGBNTDKX-ZPHPHTNESA-N
XLogP3.91
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(Z)-(7-methyl-1-phenyloct-6-en-3-ylidene)amino] acetate
CID 101154943
[(E)-(7-methyl-1-phenyloct-6-en-3-ylidene)amino] acetate
CID 11184901
[(Z)-1-phenylhept-6-en-3-ylideneamino] acetate
CID 101154947
methyl [(E)-[(E)-1-phenyloct-6-en-3-ylidene]amino] carbonate
CID 11311896
[(Z)-(6-methyl-1-phenylhept-6-en-3-ylidene)amino] acetate
CID 102207798
[(E)-1-phenylhept-6-en-3-ylideneamino] methanesulfonate
CID 15370342
2-(2-methoxyethoxy)ethyl 3-phenylpropanoate
CID 70881793
(benzhydrylideneamino) 3-phenylpropanoate
CID 91344070
benzamide;methyl 3-phenylpropanoate
CID 154677392
tert-butyl 3-[4-(4-methylpent-3-enyl)phenyl]propanoate
CID 57288346
(1,1,3,3-tetrachloropropan-2-ylideneamino) 3-phenylpropanoate
CID 88682978
acetylene;methoxymethane;methyl 3-phenylpropanoate
CID 142087261

Frequently Asked Questions

What is the IUPAC name of [(Z)-(7-methyl-1-phenyloct-6-en-3-ylidene)amino] 2-methoxyacetate?
The IUPAC name of [(Z)-(7-methyl-1-phenyloct-6-en-3-ylidene)amino] 2-methoxyacetate (CID 11738218) is [(Z)-(7-methyl-1-phenyloct-6-en-3-ylidene)amino] 2-methoxyacetate.
What is the SMILES notation for [(Z)-(7-methyl-1-phenyloct-6-en-3-ylidene)amino] 2-methoxyacetate?
The canonical SMILES for [(Z)-(7-methyl-1-phenyloct-6-en-3-ylidene)amino] 2-methoxyacetate is COCC(=O)O/N=C(/CCC=C(C)C)CCc1ccccc1.
What is the InChIKey of [(Z)-(7-methyl-1-phenyloct-6-en-3-ylidene)amino] 2-methoxyacetate?
The InChIKey is CWMOSPLGBNTDKX-ZPHPHTNESA-N. The full InChI is InChI=1S/C18H25NO3/c1-15(2)8-7-11-17(19-22-18(20)14-21-3)13-12-16-9-5-4-6-10-16/h4-6,8-10H,7,11-14H2,1-3H3/b19-17-.
What are the key properties of [(Z)-(7-methyl-1-phenyloct-6-en-3-ylidene)amino] 2-methoxyacetate?
[(Z)-(7-methyl-1-phenyloct-6-en-3-ylidene)amino] 2-methoxyacetate has a molecular weight of 303.40 g/mol, XLogP of 3.91, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(7-methyl-1-phenyloct-6-en-3-ylidene)amino] 2-methoxyacetate is sourced from PubChem (CID 11738218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).