2-cyclohex-3-en-1-yl-N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]acetamide

C34H35N3O7 — CID 43819786

IUPAC2-cyclohex-3-en-1-yl-N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]acetamide
SMILESCOc1ccc(CN(C(=O)CN2C(=O)C(=O)c3ccccc32)C(C(=O)Nc2ccc(OC)cc2OC)C2CC=CCC2)cc1
InChIInChI=1S/C34H35N3O7/c1-42-24-15-13-22(14-16-24)20-37(30(38)21-36-28-12-8-7-11-26(28)32(39)34(36)41)31(23-9-5-4-6-10-23)33(40)35-27-18-17-25(43-2)19-29(27)44-3/h4-5,7-8,11-19,23,31H,6,9-10,20-21H2,1-3H3,(H,35,40)
InChIKeyUSKGAAFTDKETNA-UHFFFAOYSA-N
MW597.67 g/mol
LogP4.63
Rot. Bonds11

About 2-cyclohex-3-en-1-yl-N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]acetamide

2-cyclohex-3-en-1-yl-N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]acetamide (PubChem CID 43819786) has the molecular formula C34H35N3O7 and a molecular weight of 597.67 g/mol. Its IUPAC name is 2-cyclohex-3-en-1-yl-N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]acetamide.

Molecular Properties

Compound Name2-cyclohex-3-en-1-yl-N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]acetamide
PubChem CID43819786
Molecular FormulaC34H35N3O7
Molecular Weight597.67 g/mol
Exact Mass597.25
IUPAC Name2-cyclohex-3-en-1-yl-N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]acetamide
SMILESCOc1ccc(CN(C(=O)CN2C(=O)C(=O)c3ccccc32)C(C(=O)Nc2ccc(OC)cc2OC)C2CC=CCC2)cc1
InChIInChI=1S/C34H35N3O7/c1-42-24-15-13-22(14-16-24)20-37(30(38)21-36-28-12-8-7-11-26(28)32(39)34(36)41)31(23-9-5-4-6-10-23)33(40)35-27-18-17-25(43-2)19-29(27)44-3/h4-5,7-8,11-19,23,31H,6,9-10,20-21H2,1-3H3,(H,35,40)
InChIKeyUSKGAAFTDKETNA-UHFFFAOYSA-N
XLogP4.63
TPSA114.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500597.67
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohex-3-en-1-yl-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(4-methoxyphenyl)acetamide
CID 3631672
2-cyclohex-3-en-1-yl-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(4-methoxyphenyl)acetamide
CID 5079094
2-[benzyl-[2-(2,3-dioxoindol-1-yl)acetyl]amino]-N-(2,4-dimethoxyphenyl)-2-(4-fluorophenyl)acetamide
CID 43819709
N-(1,3-benzodioxol-5-yl)-2-cyclohex-3-en-1-yl-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]amino]acetamide
CID 43820003
N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-2-(1H-indol-3-yl)acetamide
CID 43819740
(2S)-N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 2717855
N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide
CID 43819742
N-benzyl-N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2-(2,3-dioxoindol-1-yl)acetamide
CID 2717851
N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]amino]-3-methylbutanamide
CID 43819873
N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-fluorophenyl)methyl]amino]-2-phenylacetamide
CID 43819769
(2S)-2-[benzyl-[2-(2,3-dioxoindol-1-yl)acetyl]amino]-N-(2,4-dimethoxyphenyl)-2-methylbutanamide
CID 2717852
(2R)-2-[benzyl-[2-(2,3-dioxoindol-1-yl)acetyl]amino]-N-(2,4-dimethoxyphenyl)-2-methylbutanamide
CID 2717853

Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-3-en-1-yl-N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]acetamide?
The IUPAC name of 2-cyclohex-3-en-1-yl-N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]acetamide (CID 43819786) is 2-cyclohex-3-en-1-yl-N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]acetamide.
What is the SMILES notation for 2-cyclohex-3-en-1-yl-N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]acetamide?
The canonical SMILES for 2-cyclohex-3-en-1-yl-N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]acetamide is COc1ccc(CN(C(=O)CN2C(=O)C(=O)c3ccccc32)C(C(=O)Nc2ccc(OC)cc2OC)C2CC=CCC2)cc1.
What is the InChIKey of 2-cyclohex-3-en-1-yl-N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]acetamide?
The InChIKey is USKGAAFTDKETNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N3O7/c1-42-24-15-13-22(14-16-24)20-37(30(38)21-36-28-12-8-7-11-26(28)32(39)34(36)41)31(23-9-5-4-6-10-23)33(40)35-27-18-17-25(43-2)19-29(27)44-3/h4-5,7-8,11-19,23,31H,6,9-10,20-21H2,1-3H3,(H,35,40).
What are the key properties of 2-cyclohex-3-en-1-yl-N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]acetamide?
2-cyclohex-3-en-1-yl-N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]acetamide has a molecular weight of 597.67 g/mol, XLogP of 4.63, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-3-en-1-yl-N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]acetamide is sourced from PubChem (CID 43819786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).