(3Z)-3-ethylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one;2-methoxyphenol

C21H25NO6 — CID 145375292

IUPAC(3Z)-3-ethylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one;2-methoxyphenol
SMILESC/C=C1/CN(c2cc(OC)c(OC)c(OC)c2)C1=O.COc1ccccc1O
InChIInChI=1S/C14H17NO4.C7H8O2/c1-5-9-8-15(14(9)16)10-6-11(17-2)13(19-4)12(7-10)18-3;1-9-7-5-3-2-4-6(7)8/h5-7H,8H2,1-4H3;2-5,8H,1H3/b9-5-;
InChIKeyYIYAQEPXBPIURE-UYTGOYFPSA-N
MW387.43 g/mol
LogP3.41
Rot. Bonds5

About (3Z)-3-ethylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one;2-methoxyphenol

(3Z)-3-ethylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one;2-methoxyphenol (PubChem CID 145375292) has the molecular formula C21H25NO6 and a molecular weight of 387.43 g/mol. Its IUPAC name is (3Z)-3-ethylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one;2-methoxyphenol.

Molecular Properties

Compound Name(3Z)-3-ethylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one;2-methoxyphenol
PubChem CID145375292
Molecular FormulaC21H25NO6
Molecular Weight387.43 g/mol
Exact Mass387.17
IUPAC Name(3Z)-3-ethylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one;2-methoxyphenol
SMILESC/C=C1/CN(c2cc(OC)c(OC)c(OC)c2)C1=O.COc1ccccc1O
InChIInChI=1S/C14H17NO4.C7H8O2/c1-5-9-8-15(14(9)16)10-6-11(17-2)13(19-4)12(7-10)18-3;1-9-7-5-3-2-4-6(7)8/h5-7H,8H2,1-4H3;2-5,8H,1H3/b9-5-;
InChIKeyYIYAQEPXBPIURE-UYTGOYFPSA-N
XLogP3.41
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3Z)-3-ethylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one;2-methoxyphenol 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

N,N-dimethylmethanamine;2-methoxyphenol;1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 145375319
1,2-dimethoxybenzene;3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 145375238
1-methoxy-2-prop-2-enoxybenzene;3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 145375224
(2-methoxyphenyl) prop-2-enoate;3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 145375232
azane;2-methoxyphenol
CID 172717837
methanethiol;2-methoxyphenol
CID 141484211
2-methoxyphenol;molecular bromine
CID 141484212
(3E,4S)-4-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3-(2-trimethylsilylethylidene)azetidin-2-one
CID 155649067
CID 174763347
CID 174763347
2-methoxyphenol;oxalic acid
CID 162319729
formonitrile;2-methoxyphenol
CID 161059546
N-[2-(2-methoxyphenyl)ethyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46587014

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-ethylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one;2-methoxyphenol?
The IUPAC name of (3Z)-3-ethylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one;2-methoxyphenol (CID 145375292) is (3Z)-3-ethylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one;2-methoxyphenol.
What is the SMILES notation for (3Z)-3-ethylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one;2-methoxyphenol?
The canonical SMILES for (3Z)-3-ethylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one;2-methoxyphenol is C/C=C1/CN(c2cc(OC)c(OC)c(OC)c2)C1=O.COc1ccccc1O.
What is the InChIKey of (3Z)-3-ethylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one;2-methoxyphenol?
The InChIKey is YIYAQEPXBPIURE-UYTGOYFPSA-N. The full InChI is InChI=1S/C14H17NO4.C7H8O2/c1-5-9-8-15(14(9)16)10-6-11(17-2)13(19-4)12(7-10)18-3;1-9-7-5-3-2-4-6(7)8/h5-7H,8H2,1-4H3;2-5,8H,1H3/b9-5-;.
What are the key properties of (3Z)-3-ethylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one;2-methoxyphenol?
(3Z)-3-ethylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one;2-methoxyphenol has a molecular weight of 387.43 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one;2-methoxyphenol is sourced from PubChem (CID 145375292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).