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

C29H36N2O5 — CID 175839030

IUPAC2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-N-[(3R)-1-methylpiperidin-3-yl]acetamide
SMILESCOc1ccc2c(c1)C(CC(=O)N[C@@H]1CCCN(C)C1)=C(C)/C2=C/c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C29H36N2O5/c1-18-23(12-19-13-26(34-4)29(36-6)27(14-19)35-5)22-10-9-21(33-3)15-25(22)24(18)16-28(32)30-20-8-7-11-31(2)17-20/h9-10,12-15,20H,7-8,11,16-17H2,1-6H3,(H,30,32)/b23-12-/t20-/m1/s1
InChIKeyRMSUNMSXWOVBOZ-BRTCBXNNSA-N
MW492.62 g/mol
LogP4.65
Rot. Bonds8

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

2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-N-[(3R)-1-methylpiperidin-3-yl]acetamide (PubChem CID 175839030) has the molecular formula C29H36N2O5 and a molecular weight of 492.62 g/mol. Its IUPAC name is 2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-N-[(3R)-1-methylpiperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-N-[(3R)-1-methylpiperidin-3-yl]acetamide
PubChem CID175839030
Molecular FormulaC29H36N2O5
Molecular Weight492.62 g/mol
Exact Mass492.26
IUPAC Name2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-N-[(3R)-1-methylpiperidin-3-yl]acetamide
SMILESCOc1ccc2c(c1)C(CC(=O)N[C@@H]1CCCN(C)C1)=C(C)/C2=C/c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C29H36N2O5/c1-18-23(12-19-13-26(34-4)29(36-6)27(14-19)35-5)22-10-9-21(33-3)15-25(22)24(18)16-28(32)30-20-8-7-11-31(2)17-20/h9-10,12-15,20H,7-8,11,16-17H2,1-6H3,(H,30,32)/b23-12-/t20-/m1/s1
InChIKeyRMSUNMSXWOVBOZ-BRTCBXNNSA-N
XLogP4.65
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.62
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-N-[(3R)-1-methylpiperidin-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2,6-dimethoxy-4-[(Z)-[5-methoxy-2-methyl-3-[2-[(1-methylpyrrolidin-3-yl)amino]-2-oxoethyl]inden-1-ylidene]methyl]benzoate
CID 121393673
2-[(3Z)-5,6-dimethoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-N-[(3S)-1-methylpyrrolidin-3-yl]acetamide;1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-[(3Z)-2,6-dimethyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]ethanone;1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]ethanone;2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;trihydrochloride
CID 169429233
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-(ethylamino)-2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-N-(1-methylpyrrolidin-3-yl)acetamide
CID 121423228
2-[(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]acetic acid
CID 10150304
[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-[(3E)-6-fluoro-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]acetyl chloride
CID 22457010
2-[5,6-dimethoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]acetic acid
CID 135329124
methyl 2-[(3Z)-5,6-dimethoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]acetate;N-methylmethanamine
CID 142432111
2-[6-methoxy-2-methyl-3-[(2,3,4-trimethoxyphenyl)methylidene]inden-1-yl]acetic acid
CID 54456864
2-[(3Z)-3-[[4-(carbamoylamino)-3,5-dimethoxyphenyl]methylidene]-6-methoxy-2-methylinden-1-yl]-N-[(4-methyl-3-pyridinyl)methyl]acetamide
CID 154599729

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-[(3R)-1-methylpiperidin-3-yl]acetamide?
The IUPAC name of 2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-N-[(3R)-1-methylpiperidin-3-yl]acetamide (CID 175839030) is 2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-N-[(3R)-1-methylpiperidin-3-yl]acetamide.
What is the SMILES notation for 2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-N-[(3R)-1-methylpiperidin-3-yl]acetamide?
The canonical SMILES for 2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-N-[(3R)-1-methylpiperidin-3-yl]acetamide is COc1ccc2c(c1)C(CC(=O)N[C@@H]1CCCN(C)C1)=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-[(3R)-1-methylpiperidin-3-yl]acetamide?
The InChIKey is RMSUNMSXWOVBOZ-BRTCBXNNSA-N. The full InChI is InChI=1S/C29H36N2O5/c1-18-23(12-19-13-26(34-4)29(36-6)27(14-19)35-5)22-10-9-21(33-3)15-25(22)24(18)16-28(32)30-20-8-7-11-31(2)17-20/h9-10,12-15,20H,7-8,11,16-17H2,1-6H3,(H,30,32)/b23-12-/t20-/m1/s1.
What are the key properties of 2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-N-[(3R)-1-methylpiperidin-3-yl]acetamide?
2-[(3Z)-6-methoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]-N-[(3R)-1-methylpiperidin-3-yl]acetamide has a molecular weight of 492.62 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 6 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-[(3R)-1-methylpiperidin-3-yl]acetamide is sourced from PubChem (CID 175839030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).