2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-N-(3-methylphenyl)acetamide

C29H29NO5 — CID 121418254

IUPAC2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-N-(3-methylphenyl)acetamide
SMILESCOc1ccc2c(c1)C(CC(=O)Nc1cccc(C)c1)=C(C)/C2=C/c1cc(OC)c(O)c(OC)c1
InChIInChI=1S/C29H29NO5/c1-17-7-6-8-20(11-17)30-28(31)16-24-18(2)23(22-10-9-21(33-3)15-25(22)24)12-19-13-26(34-4)29(32)27(14-19)35-5/h6-15,32H,16H2,1-5H3,(H,30,31)/b23-12-
InChIKeyUTPSHNTUOKLQHK-FMCGGJTJSA-N
MW471.55 g/mol
LogP6.08
Rot. Bonds7

About 2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-N-(3-methylphenyl)acetamide

2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-N-(3-methylphenyl)acetamide (PubChem CID 121418254) has the molecular formula C29H29NO5 and a molecular weight of 471.55 g/mol. Its IUPAC name is 2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-N-(3-methylphenyl)acetamide
PubChem CID121418254
Molecular FormulaC29H29NO5
Molecular Weight471.55 g/mol
Exact Mass471.20
IUPAC Name2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-N-(3-methylphenyl)acetamide
SMILESCOc1ccc2c(c1)C(CC(=O)Nc1cccc(C)c1)=C(C)/C2=C/c1cc(OC)c(O)c(OC)c1
InChIInChI=1S/C29H29NO5/c1-17-7-6-8-20(11-17)30-28(31)16-24-18(2)23(22-10-9-21(33-3)15-25(22)24)12-19-13-26(34-4)29(32)27(14-19)35-5/h6-15,32H,16H2,1-5H3,(H,30,31)/b23-12-
InChIKeyUTPSHNTUOKLQHK-FMCGGJTJSA-N
XLogP6.08
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.55
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-[(Z)-[5-fluoro-2-methyl-3-[2-(3-methylanilino)-2-oxoethyl]inden-1-ylidene]methyl]-2,6-dimethoxyphenyl] acetate
CID 121418245
2-[(3Z)-3-[(4-bromo-3,5-dimethoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]acetic acid
CID 146478126
2-[(3Z)-3-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 121393630
[4-[(Z)-[5-fluoro-3-[2-(3-methoxyanilino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] (4-nitrophenyl) carbonate
CID 121423147
2-[(3Z)-6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-(2-methylphenyl)acetamide
CID 121418205
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)-3-[(3-bromo-5-methoxy-4-methylphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 121423183
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-[2,6-dimethoxy-4-[(Z)-[5-methoxy-2-methyl-3-[2-[(1-methylpyrrol-2-yl)methylamino]-2-oxoethyl]inden-1-ylidene]methyl]phenyl]acetic acid
CID 153356392
2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methyl-6-(trifluoromethoxy)inden-1-yl]-N-(1,3-thiazol-5-ylmethyl)acetamide
CID 151772558
2-[6-fluoro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-methylinden-1-yl]-N-(1H-pyrrol-2-ylmethyl)acetamide
CID 140722051
[4-[(Z)-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methoxy-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] methyl hydrogen phosphate
CID 175053323

Frequently Asked Questions

What is the IUPAC name of 2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-N-(3-methylphenyl)acetamide (CID 121418254) is 2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-N-(3-methylphenyl)acetamide is COc1ccc2c(c1)C(CC(=O)Nc1cccc(C)c1)=C(C)/C2=C/c1cc(OC)c(O)c(OC)c1.
What is the InChIKey of 2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is UTPSHNTUOKLQHK-FMCGGJTJSA-N. The full InChI is InChI=1S/C29H29NO5/c1-17-7-6-8-20(11-17)30-28(31)16-24-18(2)23(22-10-9-21(33-3)15-25(22)24)12-19-13-26(34-4)29(32)27(14-19)35-5/h6-15,32H,16H2,1-5H3,(H,30,31)/b23-12-.
What are the key properties of 2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-N-(3-methylphenyl)acetamide?
2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 471.55 g/mol, XLogP of 6.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 121418254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).