2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide

C25H26N4O5 — CID 154599731

IUPAC2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCOc1ccc2c(c1)C(CC(=O)Nc1ncn[nH]1)=C(C)/C2=C/c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C25H26N4O5/c1-14-18(8-15-9-21(32-3)24(34-5)22(10-15)33-4)17-7-6-16(31-2)11-20(17)19(14)12-23(30)28-25-26-13-27-29-25/h6-11,13H,12H2,1-5H3,(H2,26,27,28,29,30)/b18-8-
InChIKeyUEWVZQMYWKHUMT-LSCVHKIXSA-N
MW462.51 g/mol
LogP4.20
Rot. Bonds8

About 2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide

2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 154599731) has the molecular formula C25H26N4O5 and a molecular weight of 462.51 g/mol. Its IUPAC name is 2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID154599731
Molecular FormulaC25H26N4O5
Molecular Weight462.51 g/mol
Exact Mass462.19
IUPAC Name2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCOc1ccc2c(c1)C(CC(=O)Nc1ncn[nH]1)=C(C)/C2=C/c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C25H26N4O5/c1-14-18(8-15-9-21(32-3)24(34-5)22(10-15)33-4)17-7-6-16(31-2)11-20(17)19(14)12-23(30)28-25-26-13-27-29-25/h6-11,13H,12H2,1-5H3,(H2,26,27,28,29,30)/b18-8-
InChIKeyUEWVZQMYWKHUMT-LSCVHKIXSA-N
XLogP4.20
TPSA107.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-N-(3-methylphenyl)acetamide
CID 121418254
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)-3-[[4-(carbamoylamino)-3,5-dimethoxyphenyl]methylidene]-6-methoxy-2-methylinden-1-yl]-N-[(4-methyl-3-pyridinyl)methyl]acetamide
CID 154599729
2-[(3Z)-3-[(4-bromo-3,5-dimethoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]acetic acid
CID 146478126
2-[(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]acetic acid
CID 10150304
2-[(3Z)-6-chloro-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]acetic acid
CID 10172985
[4-[(Z)-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methoxy-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]methyl dihydrogen phosphate
CID 121417794
2-[(3E)-6-fluoro-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]acetyl chloride
CID 22457010
[4-[(Z)-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methoxy-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] methyl hydrogen phosphate
CID 175053323
2-[5,6-dimethoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]acetic acid
CID 135329124
2-[(3Z)-3-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 121393630

Frequently Asked Questions

What is the IUPAC name of 2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 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) is 2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide is COc1ccc2c(c1)C(CC(=O)Nc1ncn[nH]1)=C(C)/C2=C/c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is UEWVZQMYWKHUMT-LSCVHKIXSA-N. The full InChI is InChI=1S/C25H26N4O5/c1-14-18(8-15-9-21(32-3)24(34-5)22(10-15)33-4)17-7-6-16(31-2)11-20(17)19(14)12-23(30)28-25-26-13-27-29-25/h6-11,13H,12H2,1-5H3,(H2,26,27,28,29,30)/b18-8-.
What are the key properties of 2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide?
2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 462.51 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 154599731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).