1,2-dimethoxybenzene;3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one

C21H25NO6 — CID 145375238

IUPAC1,2-dimethoxybenzene;3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
SMILESC=C1CN(c2cc(OC)c(OC)c(OC)c2)C1=O.COc1ccccc1OC
InChIInChI=1S/C13H15NO4.C8H10O2/c1-8-7-14(13(8)15)9-5-10(16-2)12(18-4)11(6-9)17-3;1-9-7-5-3-4-6-8(7)10-2/h5-6H,1,7H2,2-4H3;3-6H,1-2H3
InChIKeyYBUKOGSZCSYGKJ-UHFFFAOYSA-N
MW387.43 g/mol
LogP3.32
Rot. Bonds6

About 1,2-dimethoxybenzene;3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one

1,2-dimethoxybenzene;3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one (PubChem CID 145375238) has the molecular formula C21H25NO6 and a molecular weight of 387.43 g/mol. Its IUPAC name is 1,2-dimethoxybenzene;3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name1,2-dimethoxybenzene;3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
PubChem CID145375238
Molecular FormulaC21H25NO6
Molecular Weight387.43 g/mol
Exact Mass387.17
IUPAC Name1,2-dimethoxybenzene;3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
SMILESC=C1CN(c2cc(OC)c(OC)c(OC)c2)C1=O.COc1ccccc1OC
InChIInChI=1S/C13H15NO4.C8H10O2/c1-8-7-14(13(8)15)9-5-10(16-2)12(18-4)11(6-9)17-3;1-9-7-5-3-4-6-8(7)10-2/h5-6H,1,7H2,2-4H3;3-6H,1-2H3
InChIKeyYBUKOGSZCSYGKJ-UHFFFAOYSA-N
XLogP3.32
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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
(3Z)-3-ethylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one;2-methoxyphenol
CID 145375292
N,N-dimethylmethanamine;2-methoxyphenol;1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 145375319
1-(3,4,5-trimethoxyphenyl)-1,3-diazinan-2-one
CID 115370857
2-[3-(3,4,5-trimethoxyphenyl)phenyl]isoindole-1,3-dione
CID 168517559
4-(3,4,5-trimethoxyphenyl)morpholin-3-one
CID 165481703
2-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]-3H-isoindol-1-one
CID 91677921
(4S)-3-methylidene-4-(4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 131974451
7-chloro-4-(3,4,5-trimethoxyphenyl)-5H-1,4-benzoxazepin-3-one
CID 53152485
N-[2-(2-methoxyphenyl)ethyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46587014
1-(3,4,5-trimethoxyphenyl)benzotriazole
CID 175194463

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxybenzene;3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The IUPAC name of 1,2-dimethoxybenzene;3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one (CID 145375238) is 1,2-dimethoxybenzene;3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one.
What is the SMILES notation for 1,2-dimethoxybenzene;3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The canonical SMILES for 1,2-dimethoxybenzene;3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one is C=C1CN(c2cc(OC)c(OC)c(OC)c2)C1=O.COc1ccccc1OC.
What is the InChIKey of 1,2-dimethoxybenzene;3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The InChIKey is YBUKOGSZCSYGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4.C8H10O2/c1-8-7-14(13(8)15)9-5-10(16-2)12(18-4)11(6-9)17-3;1-9-7-5-3-4-6-8(7)10-2/h5-6H,1,7H2,2-4H3;3-6H,1-2H3.
What are the key properties of 1,2-dimethoxybenzene;3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
1,2-dimethoxybenzene;3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one has a molecular weight of 387.43 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxybenzene;3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one is sourced from PubChem (CID 145375238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).