methyl (Z)-3-(4-methoxyanilino)-3-(4-methoxyphenyl)prop-2-enoate

C18H19NO4 — CID 12660151

IUPACmethyl (Z)-3-(4-methoxyanilino)-3-(4-methoxyphenyl)prop-2-enoate
SMILESCOC(=O)/C=C(\Nc1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C18H19NO4/c1-21-15-8-4-13(5-9-15)17(12-18(20)23-3)19-14-6-10-16(22-2)11-7-14/h4-12,19H,1-3H3/b17-12-
InChIKeyMHGWXLROZMMOOI-ATVHPVEESA-N
MW313.35 g/mol
LogP3.33
Rot. Bonds6

About methyl (Z)-3-(4-methoxyanilino)-3-(4-methoxyphenyl)prop-2-enoate

methyl (Z)-3-(4-methoxyanilino)-3-(4-methoxyphenyl)prop-2-enoate (PubChem CID 12660151) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is methyl (Z)-3-(4-methoxyanilino)-3-(4-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-(4-methoxyanilino)-3-(4-methoxyphenyl)prop-2-enoate
PubChem CID12660151
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Namemethyl (Z)-3-(4-methoxyanilino)-3-(4-methoxyphenyl)prop-2-enoate
SMILESCOC(=O)/C=C(\Nc1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C18H19NO4/c1-21-15-8-4-13(5-9-15)17(12-18(20)23-3)19-14-6-10-16(22-2)11-7-14/h4-12,19H,1-3H3/b17-12-
InChIKeyMHGWXLROZMMOOI-ATVHPVEESA-N
XLogP3.33
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl (Z)-3-(4-methoxyanilino)-3-(4-methoxyphenyl)prop-2-enoate 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

methyl (Z)-3-(4-methoxyanilino)-3-(4-methylphenyl)prop-2-enoate
CID 102577743
3-(4-methoxyanilino)-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
CID 4672353
methyl (E)-3-(4-methoxyphenyl)but-2-enoate
CID 11074539
methyl (Z)-3-(4-methoxyphenyl)-3-[[(1R)-1-phenylethyl]amino]prop-2-enoate
CID 51032017
dimethyl (Z)-3-(4-methoxyanilino)pent-2-enedioate
CID 5381085
1,3-bis(4-methoxyphenyl)urea
CID 139045428
methyl (Z)-4-bromo-3-(4-methoxyphenyl)but-2-enoate
CID 131873738
ethyl (E)-3-amino-3-(4-methoxyanilino)prop-2-enoate
CID 737874
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
N,3-bis(4-methoxyphenyl)-3-oxopropanamide
CID 23763529
methyl (E)-3-[4-(4-methoxyphenyl)phenyl]pent-2-enoate
CID 82543564
3-(4-chloroanilino)-1-(4-methoxyphenyl)but-2-en-1-one
CID 799198

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-(4-methoxyanilino)-3-(4-methoxyphenyl)prop-2-enoate?
The IUPAC name of methyl (Z)-3-(4-methoxyanilino)-3-(4-methoxyphenyl)prop-2-enoate (CID 12660151) is methyl (Z)-3-(4-methoxyanilino)-3-(4-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for methyl (Z)-3-(4-methoxyanilino)-3-(4-methoxyphenyl)prop-2-enoate?
The canonical SMILES for methyl (Z)-3-(4-methoxyanilino)-3-(4-methoxyphenyl)prop-2-enoate is COC(=O)/C=C(\Nc1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of methyl (Z)-3-(4-methoxyanilino)-3-(4-methoxyphenyl)prop-2-enoate?
The InChIKey is MHGWXLROZMMOOI-ATVHPVEESA-N. The full InChI is InChI=1S/C18H19NO4/c1-21-15-8-4-13(5-9-15)17(12-18(20)23-3)19-14-6-10-16(22-2)11-7-14/h4-12,19H,1-3H3/b17-12-.
What are the key properties of methyl (Z)-3-(4-methoxyanilino)-3-(4-methoxyphenyl)prop-2-enoate?
methyl (Z)-3-(4-methoxyanilino)-3-(4-methoxyphenyl)prop-2-enoate has a molecular weight of 313.35 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-(4-methoxyanilino)-3-(4-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 12660151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).