methyl 2-[(3Z)-5,6-dimethoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]acetate;N-methylmethanamine

C27H35NO7 — CID 142432111

IUPACmethyl 2-[(3Z)-5,6-dimethoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]acetate;N-methylmethanamine
SMILESCNC.COC(=O)CC1=C(C)/C(=C/c2cc(OC)c(OC)c(OC)c2)c2cc(OC)c(OC)cc21
InChIInChI=1S/C25H28O7.C2H7N/c1-14-16(8-15-9-22(29-4)25(32-7)23(10-15)30-5)18-11-20(27-2)21(28-3)12-19(18)17(14)13-24(26)31-6;1-3-2/h8-12H,13H2,1-7H3;3H,1-2H3/b16-8-;
InChIKeyVWSAIEWDIVWKPW-SQIOZQJDSA-N
MW485.58 g/mol
LogP4.46
Rot. Bonds8

About methyl 2-[(3Z)-5,6-dimethoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]acetate;N-methylmethanamine

methyl 2-[(3Z)-5,6-dimethoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]acetate;N-methylmethanamine (PubChem CID 142432111) has the molecular formula C27H35NO7 and a molecular weight of 485.58 g/mol. Its IUPAC name is methyl 2-[(3Z)-5,6-dimethoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]acetate;N-methylmethanamine.

Molecular Properties

Compound Namemethyl 2-[(3Z)-5,6-dimethoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]acetate;N-methylmethanamine
PubChem CID142432111
Molecular FormulaC27H35NO7
Molecular Weight485.58 g/mol
Exact Mass485.24
IUPAC Namemethyl 2-[(3Z)-5,6-dimethoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]acetate;N-methylmethanamine
SMILESCNC.COC(=O)CC1=C(C)/C(=C/c2cc(OC)c(OC)c(OC)c2)c2cc(OC)c(OC)cc21
InChIInChI=1S/C25H28O7.C2H7N/c1-14-16(8-15-9-22(29-4)25(32-7)23(10-15)30-5)18-11-20(27-2)21(28-3)12-19(18)17(14)13-24(26)31-6;1-3-2/h8-12H,13H2,1-7H3;3H,1-2H3/b16-8-;
InChIKeyVWSAIEWDIVWKPW-SQIOZQJDSA-N
XLogP4.46
TPSA84.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.58
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[5,6-dimethoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]acetic acid
CID 135329124
(1-methylpyrrolidin-3-yl) 2-[(3Z)-5,6-dimethoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]acetate
CID 146478011
methyl 2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]acetate
CID 146909263
2-[(3Z)-6-chloro-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]acetic acid
CID 10172985
2-[(3E)-6-fluoro-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]acetyl chloride
CID 22457010
2-[(3Z)-3-[[4-[[4-(dimethylamino)phenyl]methoxy]-3,5-dimethoxyphenyl]methylidene]-5,6-dimethoxy-2-methylinden-1-yl]acetic acid
CID 135329131
2-[6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride
CID 135239113
2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 154599731
2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-N-[(3R)-1-methylpiperidin-3-yl]acetamide
CID 175839030
2-[(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]acetic acid
CID 10150304
2-[(3Z)-3-[(4-bromo-3,5-dimethoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]acetic acid
CID 146478126
2-[(3Z)-6-chloro-3-[(3,4-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]acetic acid
CID 10215739

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3Z)-5,6-dimethoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]acetate;N-methylmethanamine?
The IUPAC name of methyl 2-[(3Z)-5,6-dimethoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]acetate;N-methylmethanamine (CID 142432111) is methyl 2-[(3Z)-5,6-dimethoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]acetate;N-methylmethanamine.
What is the SMILES notation for methyl 2-[(3Z)-5,6-dimethoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]acetate;N-methylmethanamine?
The canonical SMILES for methyl 2-[(3Z)-5,6-dimethoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]acetate;N-methylmethanamine is CNC.COC(=O)CC1=C(C)/C(=C/c2cc(OC)c(OC)c(OC)c2)c2cc(OC)c(OC)cc21.
What is the InChIKey of methyl 2-[(3Z)-5,6-dimethoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]acetate;N-methylmethanamine?
The InChIKey is VWSAIEWDIVWKPW-SQIOZQJDSA-N. The full InChI is InChI=1S/C25H28O7.C2H7N/c1-14-16(8-15-9-22(29-4)25(32-7)23(10-15)30-5)18-11-20(27-2)21(28-3)12-19(18)17(14)13-24(26)31-6;1-3-2/h8-12H,13H2,1-7H3;3H,1-2H3/b16-8-;.
What are the key properties of methyl 2-[(3Z)-5,6-dimethoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]acetate;N-methylmethanamine?
methyl 2-[(3Z)-5,6-dimethoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]acetate;N-methylmethanamine has a molecular weight of 485.58 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3Z)-5,6-dimethoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]acetate;N-methylmethanamine is sourced from PubChem (CID 142432111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).