2-[(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5,6-dimethoxy-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide

C28H30N2O4 — CID 146478022

IUPAC2-[(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5,6-dimethoxy-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCOc1cc2c(cc1OC)/C(=C\c1ccc(N(C)C)cc1)C(C)=C2CC(=O)NCc1ccco1
InChIInChI=1S/C28H30N2O4/c1-18-22(13-19-8-10-20(11-9-19)30(2)3)24-14-26(32-4)27(33-5)15-25(24)23(18)16-28(31)29-17-21-7-6-12-34-21/h6-15H,16-17H2,1-5H3,(H,29,31)/b22-13-
InChIKeyJWQLVVTUDSDACK-XKZIYDEJSA-N
MW458.56 g/mol
LogP5.40
Rot. Bonds8

About 2-[(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5,6-dimethoxy-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide

2-[(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5,6-dimethoxy-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 146478022) has the molecular formula C28H30N2O4 and a molecular weight of 458.56 g/mol. Its IUPAC name is 2-[(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5,6-dimethoxy-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5,6-dimethoxy-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID146478022
Molecular FormulaC28H30N2O4
Molecular Weight458.56 g/mol
Exact Mass458.22
IUPAC Name2-[(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5,6-dimethoxy-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCOc1cc2c(cc1OC)/C(=C\c1ccc(N(C)C)cc1)C(C)=C2CC(=O)NCc1ccco1
InChIInChI=1S/C28H30N2O4/c1-18-22(13-19-8-10-20(11-9-19)30(2)3)24-14-26(32-4)27(33-5)15-25(24)23(18)16-28(31)29-17-21-7-6-12-34-21/h6-15H,16-17H2,1-5H3,(H,29,31)/b22-13-
InChIKeyJWQLVVTUDSDACK-XKZIYDEJSA-N
XLogP5.40
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.56
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-[(3Z)-3-[[2-(dimethylamino)pyrimidin-5-yl]methylidene]-6-methoxy-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 121417937
2-[(3Z)-3-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 121393630
2-[(3Z)-3-[(3-bromo-5-methoxy-4-methylphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 121423183
[4-[(Z)-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methoxy-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] methyl hydrogen phosphate
CID 175053323
[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl] methyl hydrogen phosphate
CID 175054234
[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-(dimethylamino)ethyl 2-[4-[(Z)-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methoxy-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetate
CID 151582841
N-(furan-2-ylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)acetamide
CID 110767919
2-[(3Z)-3-[[4-[[4-(dimethylamino)phenyl]methoxy]-3,5-dimethoxyphenyl]methylidene]-5,6-dimethoxy-2-methylinden-1-yl]acetic acid
CID 135329131
2-[3-[[4-(dimethylamino)phenyl]methylidene]-6-methoxy-2-methylinden-1-yl]acetic acid
CID 146446794
[4-[(Z)-[3-[2-(benzylamino)-2-oxoethyl]-5-methoxy-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenyl]boronic acid;2-[4-[(Z)-[5-fluoro-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetic acid;2-[4-[(Z)-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methoxy-2-methylinden-1-ylidene]methyl]-2,6-dimethoxyphenoxy]acetic acid
CID 163852326
N-(furan-2-ylmethyl)-2,4,5-trimethoxybenzamide
CID 1089288

Frequently Asked Questions

What is the IUPAC name of 2-[(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5,6-dimethoxy-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5,6-dimethoxy-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide (CID 146478022) is 2-[(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5,6-dimethoxy-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5,6-dimethoxy-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5,6-dimethoxy-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide is COc1cc2c(cc1OC)/C(=C\c1ccc(N(C)C)cc1)C(C)=C2CC(=O)NCc1ccco1.
What is the InChIKey of 2-[(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5,6-dimethoxy-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is JWQLVVTUDSDACK-XKZIYDEJSA-N. The full InChI is InChI=1S/C28H30N2O4/c1-18-22(13-19-8-10-20(11-9-19)30(2)3)24-14-26(32-4)27(33-5)15-25(24)23(18)16-28(31)29-17-21-7-6-12-34-21/h6-15H,16-17H2,1-5H3,(H,29,31)/b22-13-.
What are the key properties of 2-[(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5,6-dimethoxy-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide?
2-[(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5,6-dimethoxy-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 458.56 g/mol, XLogP of 5.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5,6-dimethoxy-2-methylinden-1-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 146478022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).