1-methoxy-2-prop-2-enoxybenzene;3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one

C23H27NO6 — CID 145375224

IUPAC1-methoxy-2-prop-2-enoxybenzene;3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
SMILESC=C1CN(c2cc(OC)c(OC)c(OC)c2)C1=O.C=CCOc1ccccc1OC
InChIInChI=1S/C13H15NO4.C10H12O2/c1-8-7-14(13(8)15)9-5-10(16-2)12(18-4)11(6-9)17-3;1-3-8-12-10-7-5-4-6-9(10)11-2/h5-6H,1,7H2,2-4H3;3-7H,1,8H2,2H3
InChIKeyCVUXTAAVSGUAKJ-UHFFFAOYSA-N
MW413.47 g/mol
LogP3.88
Rot. Bonds8

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

1-methoxy-2-prop-2-enoxybenzene;3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one (PubChem CID 145375224) has the molecular formula C23H27NO6 and a molecular weight of 413.47 g/mol. Its IUPAC name is 1-methoxy-2-prop-2-enoxybenzene;3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name1-methoxy-2-prop-2-enoxybenzene;3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
PubChem CID145375224
Molecular FormulaC23H27NO6
Molecular Weight413.47 g/mol
Exact Mass413.18
IUPAC Name1-methoxy-2-prop-2-enoxybenzene;3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
SMILESC=C1CN(c2cc(OC)c(OC)c(OC)c2)C1=O.C=CCOc1ccccc1OC
InChIInChI=1S/C13H15NO4.C10H12O2/c1-8-7-14(13(8)15)9-5-10(16-2)12(18-4)11(6-9)17-3;1-3-8-12-10-7-5-4-6-9(10)11-2/h5-6H,1,7H2,2-4H3;3-7H,1,8H2,2H3
InChIKeyCVUXTAAVSGUAKJ-UHFFFAOYSA-N
XLogP3.88
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,2-dimethoxybenzene;3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 145375238
(2-methoxyphenyl) prop-2-enoate;3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 145375232
(3Z)-3-ethylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one;2-methoxyphenol
CID 145375292
1-methoxy-2,3-bis(prop-2-enoxy)benzene
CID 11160335
N,N-dimethylmethanamine;2-methoxyphenol;1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 145375319
1-(methoxymethoxy)-2-prop-2-enoxybenzene
CID 121218141
1-but-3-enoxy-2-methoxybenzene
CID 56629510
1-methoxy-5-prop-2-enoxyanthracene-9,10-dione
CID 100970619
(2R)-3-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 92787600
(2S)-2-(3-methoxy-4-prop-2-enoxyphenyl)-1-methyl-2,3-dihydroquinazolin-4-one
CID 40790488
4,6,11,13,18,20,25,27-octamethoxy-5,12,19,26-tetrakis(prop-2-enoxy)pentacyclo[22.4.0.03,8.010,15.017,22]octacosa-1(28),3,5,7,10,12,14,17,19,21,24,26-dodecaene
CID 71734980
1-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]imidazolidine-2,4-dione
CID 9351018

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-prop-2-enoxybenzene;3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The IUPAC name of 1-methoxy-2-prop-2-enoxybenzene;3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one (CID 145375224) is 1-methoxy-2-prop-2-enoxybenzene;3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one.
What is the SMILES notation for 1-methoxy-2-prop-2-enoxybenzene;3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The canonical SMILES for 1-methoxy-2-prop-2-enoxybenzene;3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one is C=C1CN(c2cc(OC)c(OC)c(OC)c2)C1=O.C=CCOc1ccccc1OC.
What is the InChIKey of 1-methoxy-2-prop-2-enoxybenzene;3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The InChIKey is CVUXTAAVSGUAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4.C10H12O2/c1-8-7-14(13(8)15)9-5-10(16-2)12(18-4)11(6-9)17-3;1-3-8-12-10-7-5-4-6-9(10)11-2/h5-6H,1,7H2,2-4H3;3-7H,1,8H2,2H3.
What are the key properties of 1-methoxy-2-prop-2-enoxybenzene;3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
1-methoxy-2-prop-2-enoxybenzene;3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one has a molecular weight of 413.47 g/mol, XLogP of 3.88, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-prop-2-enoxybenzene;3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one is sourced from PubChem (CID 145375224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).