methyl 3-anilino-2-methylidene-5-phenylpentanoate

C19H21NO2 — CID 132560939

IUPACmethyl 3-anilino-2-methylidene-5-phenylpentanoate
SMILESC=C(C(=O)OC)C(CCc1ccccc1)Nc1ccccc1
InChIInChI=1S/C19H21NO2/c1-15(19(21)22-2)18(20-17-11-7-4-8-12-17)14-13-16-9-5-3-6-10-16/h3-12,18,20H,1,13-14H2,2H3
InChIKeyUNOIBMXXZGDERL-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.83
Rot. Bonds7

About methyl 3-anilino-2-methylidene-5-phenylpentanoate

methyl 3-anilino-2-methylidene-5-phenylpentanoate (PubChem CID 132560939) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is methyl 3-anilino-2-methylidene-5-phenylpentanoate.

Molecular Properties

Compound Namemethyl 3-anilino-2-methylidene-5-phenylpentanoate
PubChem CID132560939
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Namemethyl 3-anilino-2-methylidene-5-phenylpentanoate
SMILESC=C(C(=O)OC)C(CCc1ccccc1)Nc1ccccc1
InChIInChI=1S/C19H21NO2/c1-15(19(21)22-2)18(20-17-11-7-4-8-12-17)14-13-16-9-5-3-6-10-16/h3-12,18,20H,1,13-14H2,2H3
InChIKeyUNOIBMXXZGDERL-UHFFFAOYSA-N
XLogP3.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-anilino-2-methylidene-5-phenylpentanoate?
The IUPAC name of methyl 3-anilino-2-methylidene-5-phenylpentanoate (CID 132560939) is methyl 3-anilino-2-methylidene-5-phenylpentanoate.
What is the SMILES notation for methyl 3-anilino-2-methylidene-5-phenylpentanoate?
The canonical SMILES for methyl 3-anilino-2-methylidene-5-phenylpentanoate is C=C(C(=O)OC)C(CCc1ccccc1)Nc1ccccc1.
What is the InChIKey of methyl 3-anilino-2-methylidene-5-phenylpentanoate?
The InChIKey is UNOIBMXXZGDERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-15(19(21)22-2)18(20-17-11-7-4-8-12-17)14-13-16-9-5-3-6-10-16/h3-12,18,20H,1,13-14H2,2H3.
What are the key properties of methyl 3-anilino-2-methylidene-5-phenylpentanoate?
methyl 3-anilino-2-methylidene-5-phenylpentanoate has a molecular weight of 295.38 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-anilino-2-methylidene-5-phenylpentanoate is sourced from PubChem (CID 132560939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).