methyl 2-(N,4-dimethylanilino)-2-phenylpent-4-enoate

C20H23NO2 — CID 146169630

IUPACmethyl 2-(N,4-dimethylanilino)-2-phenylpent-4-enoate
SMILESC=CCC(C(=O)OC)(c1ccccc1)N(C)c1ccc(C)cc1
InChIInChI=1S/C20H23NO2/c1-5-15-20(19(22)23-4,17-9-7-6-8-10-17)21(3)18-13-11-16(2)12-14-18/h5-14H,1,15H2,2-4H3
InChIKeyUCKGMCVSEOSFOL-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.08
Rot. Bonds6

About methyl 2-(N,4-dimethylanilino)-2-phenylpent-4-enoate

methyl 2-(N,4-dimethylanilino)-2-phenylpent-4-enoate (PubChem CID 146169630) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is methyl 2-(N,4-dimethylanilino)-2-phenylpent-4-enoate.

Molecular Properties

Compound Namemethyl 2-(N,4-dimethylanilino)-2-phenylpent-4-enoate
PubChem CID146169630
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Namemethyl 2-(N,4-dimethylanilino)-2-phenylpent-4-enoate
SMILESC=CCC(C(=O)OC)(c1ccccc1)N(C)c1ccc(C)cc1
InChIInChI=1S/C20H23NO2/c1-5-15-20(19(22)23-4,17-9-7-6-8-10-17)21(3)18-13-11-16(2)12-14-18/h5-14H,1,15H2,2-4H3
InChIKeyUCKGMCVSEOSFOL-UHFFFAOYSA-N
XLogP4.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(N,4-dimethylanilino)-2-phenylpent-4-enoate?
The IUPAC name of methyl 2-(N,4-dimethylanilino)-2-phenylpent-4-enoate (CID 146169630) is methyl 2-(N,4-dimethylanilino)-2-phenylpent-4-enoate.
What is the SMILES notation for methyl 2-(N,4-dimethylanilino)-2-phenylpent-4-enoate?
The canonical SMILES for methyl 2-(N,4-dimethylanilino)-2-phenylpent-4-enoate is C=CCC(C(=O)OC)(c1ccccc1)N(C)c1ccc(C)cc1.
What is the InChIKey of methyl 2-(N,4-dimethylanilino)-2-phenylpent-4-enoate?
The InChIKey is UCKGMCVSEOSFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-5-15-20(19(22)23-4,17-9-7-6-8-10-17)21(3)18-13-11-16(2)12-14-18/h5-14H,1,15H2,2-4H3.
What are the key properties of methyl 2-(N,4-dimethylanilino)-2-phenylpent-4-enoate?
methyl 2-(N,4-dimethylanilino)-2-phenylpent-4-enoate has a molecular weight of 309.41 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(N,4-dimethylanilino)-2-phenylpent-4-enoate is sourced from PubChem (CID 146169630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).