(2-methoxyphenyl) prop-2-enoate;3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one

C23H25NO7 — CID 145375232

IUPAC(2-methoxyphenyl) prop-2-enoate;3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
SMILESC=C1CN(c2cc(OC)c(OC)c(OC)c2)C1=O.C=CC(=O)Oc1ccccc1OC
InChIInChI=1S/C13H15NO4.C10H10O3/c1-8-7-14(13(8)15)9-5-10(16-2)12(18-4)11(6-9)17-3;1-3-10(11)13-9-7-5-4-6-8(9)12-2/h5-6H,1,7H2,2-4H3;3-7H,1H2,2H3
InChIKeyAUBDWOJOUWIDCN-UHFFFAOYSA-N
MW427.45 g/mol
LogP3.40
Rot. Bonds7

About (2-methoxyphenyl) prop-2-enoate;3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one

(2-methoxyphenyl) prop-2-enoate;3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one (PubChem CID 145375232) has the molecular formula C23H25NO7 and a molecular weight of 427.45 g/mol. Its IUPAC name is (2-methoxyphenyl) prop-2-enoate;3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name(2-methoxyphenyl) prop-2-enoate;3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
PubChem CID145375232
Molecular FormulaC23H25NO7
Molecular Weight427.45 g/mol
Exact Mass427.16
IUPAC Name(2-methoxyphenyl) prop-2-enoate;3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
SMILESC=C1CN(c2cc(OC)c(OC)c(OC)c2)C1=O.C=CC(=O)Oc1ccccc1OC
InChIInChI=1S/C13H15NO4.C10H10O3/c1-8-7-14(13(8)15)9-5-10(16-2)12(18-4)11(6-9)17-3;1-3-10(11)13-9-7-5-4-6-8(9)12-2/h5-6H,1,7H2,2-4H3;3-7H,1H2,2H3
InChIKeyAUBDWOJOUWIDCN-UHFFFAOYSA-N
XLogP3.40
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.45
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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
CID 22987486
(3Z)-3-ethylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one;2-methoxyphenol
CID 145375292
(3,4,5-trimethoxyphenyl) prop-2-enoate
CID 100954582
(2-ethyl-4-methoxynaphthalen-1-yl) prop-2-enoate
CID 163406566
N,N-dimethylmethanamine;2-methoxyphenol;1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 145375319
(4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate
CID 70427728
(2-methoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
CID 8778510
prop-2-enoyl chloride;1,2,3-trimethoxybenzene
CID 175437840
(6-bromo-2-hydroxy-3-methoxyphenyl) prop-2-enoate
CID 175096593
(3-methoxy-7-methyl-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate
CID 163406680

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl) prop-2-enoate;3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The IUPAC name of (2-methoxyphenyl) prop-2-enoate;3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one (CID 145375232) is (2-methoxyphenyl) prop-2-enoate;3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one.
What is the SMILES notation for (2-methoxyphenyl) prop-2-enoate;3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The canonical SMILES for (2-methoxyphenyl) prop-2-enoate;3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one is C=C1CN(c2cc(OC)c(OC)c(OC)c2)C1=O.C=CC(=O)Oc1ccccc1OC.
What is the InChIKey of (2-methoxyphenyl) prop-2-enoate;3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The InChIKey is AUBDWOJOUWIDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4.C10H10O3/c1-8-7-14(13(8)15)9-5-10(16-2)12(18-4)11(6-9)17-3;1-3-10(11)13-9-7-5-4-6-8(9)12-2/h5-6H,1,7H2,2-4H3;3-7H,1H2,2H3.
What are the key properties of (2-methoxyphenyl) prop-2-enoate;3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
(2-methoxyphenyl) prop-2-enoate;3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one has a molecular weight of 427.45 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl) prop-2-enoate;3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one is sourced from PubChem (CID 145375232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).