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

C18H19NO3 — CID 102577743

IUPACmethyl (Z)-3-(4-methoxyanilino)-3-(4-methylphenyl)prop-2-enoate
SMILESCOC(=O)/C=C(\Nc1ccc(OC)cc1)c1ccc(C)cc1
InChIInChI=1S/C18H19NO3/c1-13-4-6-14(7-5-13)17(12-18(20)22-3)19-15-8-10-16(21-2)11-9-15/h4-12,19H,1-3H3/b17-12-
InChIKeyUFVNHZQPELZUDC-ATVHPVEESA-N
MW297.35 g/mol
LogP3.63
Rot. Bonds5

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

methyl (Z)-3-(4-methoxyanilino)-3-(4-methylphenyl)prop-2-enoate (PubChem CID 102577743) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is methyl (Z)-3-(4-methoxyanilino)-3-(4-methylphenyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-(4-methoxyanilino)-3-(4-methylphenyl)prop-2-enoate
PubChem CID102577743
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Namemethyl (Z)-3-(4-methoxyanilino)-3-(4-methylphenyl)prop-2-enoate
SMILESCOC(=O)/C=C(\Nc1ccc(OC)cc1)c1ccc(C)cc1
InChIInChI=1S/C18H19NO3/c1-13-4-6-14(7-5-13)17(12-18(20)22-3)19-15-8-10-16(21-2)11-9-15/h4-12,19H,1-3H3/b17-12-
InChIKeyUFVNHZQPELZUDC-ATVHPVEESA-N
XLogP3.63
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (Z)-3-(4-methoxyanilino)-3-(4-methylphenyl)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-methoxyphenyl)prop-2-enoate
CID 12660151
3-(4-methoxyanilino)-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
CID 4672353
2-(4-methoxyanilino)-1,4-bis(4-methylphenyl)but-2-ene-1,4-dione
CID 3726588
N-(4-methoxyphenyl)-4-(4-methylphenoxy)benzamide
CID 16651033
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
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
(E)-2-(4-methoxyphenyl)-N-(4-methylphenyl)-3-phenylprop-2-enamide
CID 175523541
1-[(4-methoxyphenyl)carbamoyl]-1,3-bis(4-methylphenyl)urea
CID 102245871
ethyl (E)-3-amino-3-(4-methoxyanilino)prop-2-enoate
CID 737874
4-methoxybenzoic acid;1-methoxy-4-methylbenzene
CID 18916324

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-(4-methoxyanilino)-3-(4-methylphenyl)prop-2-enoate?
The IUPAC name of methyl (Z)-3-(4-methoxyanilino)-3-(4-methylphenyl)prop-2-enoate (CID 102577743) is methyl (Z)-3-(4-methoxyanilino)-3-(4-methylphenyl)prop-2-enoate.
What is the SMILES notation for methyl (Z)-3-(4-methoxyanilino)-3-(4-methylphenyl)prop-2-enoate?
The canonical SMILES for methyl (Z)-3-(4-methoxyanilino)-3-(4-methylphenyl)prop-2-enoate is COC(=O)/C=C(\Nc1ccc(OC)cc1)c1ccc(C)cc1.
What is the InChIKey of methyl (Z)-3-(4-methoxyanilino)-3-(4-methylphenyl)prop-2-enoate?
The InChIKey is UFVNHZQPELZUDC-ATVHPVEESA-N. The full InChI is InChI=1S/C18H19NO3/c1-13-4-6-14(7-5-13)17(12-18(20)22-3)19-15-8-10-16(21-2)11-9-15/h4-12,19H,1-3H3/b17-12-.
What are the key properties of methyl (Z)-3-(4-methoxyanilino)-3-(4-methylphenyl)prop-2-enoate?
methyl (Z)-3-(4-methoxyanilino)-3-(4-methylphenyl)prop-2-enoate has a molecular weight of 297.35 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-(4-methoxyanilino)-3-(4-methylphenyl)prop-2-enoate is sourced from PubChem (CID 102577743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).