N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-2-(1H-indol-3-yl)acetamide

C36H32N4O6 — CID 43819740

IUPACN-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-2-(1H-indol-3-yl)acetamide
SMILESCOc1ccc(NC(=O)C(c2c[nH]c3ccccc23)N(Cc2ccc(C)cc2)C(=O)CN2C(=O)C(=O)c3ccccc32)c(OC)c1
InChIInChI=1S/C36H32N4O6/c1-22-12-14-23(15-13-22)20-40(32(41)21-39-30-11-7-5-9-26(30)34(42)36(39)44)33(27-19-37-28-10-6-4-8-25(27)28)35(43)38-29-17-16-24(45-2)18-31(29)46-3/h4-19,33,37H,20-21H2,1-3H3,(H,38,43)
InChIKeyGSPCXNPRSFGXOR-UHFFFAOYSA-N
MW616.67 g/mol
LogP5.43
Rot. Bonds10

About N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-2-(1H-indol-3-yl)acetamide

N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-2-(1H-indol-3-yl)acetamide (PubChem CID 43819740) has the molecular formula C36H32N4O6 and a molecular weight of 616.67 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-2-(1H-indol-3-yl)acetamide
PubChem CID43819740
Molecular FormulaC36H32N4O6
Molecular Weight616.67 g/mol
Exact Mass616.23
IUPAC NameN-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-2-(1H-indol-3-yl)acetamide
SMILESCOc1ccc(NC(=O)C(c2c[nH]c3ccccc23)N(Cc2ccc(C)cc2)C(=O)CN2C(=O)C(=O)c3ccccc32)c(OC)c1
InChIInChI=1S/C36H32N4O6/c1-22-12-14-23(15-13-22)20-40(32(41)21-39-30-11-7-5-9-26(30)34(42)36(39)44)33(27-19-37-28-10-6-4-8-25(27)28)35(43)38-29-17-16-24(45-2)18-31(29)46-3/h4-19,33,37H,20-21H2,1-3H3,(H,38,43)
InChIKeyGSPCXNPRSFGXOR-UHFFFAOYSA-N
XLogP5.43
TPSA121.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.67
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[benzyl-[2-(2,3-dioxoindol-1-yl)acetyl]amino]-N-(2,4-dimethoxyphenyl)-2-(4-fluorophenyl)acetamide
CID 43819709
2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(4-methoxyphenyl)-2-(4-methylphenyl)acetamide
CID 43819547
N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-fluorophenyl)methyl]amino]-2-phenylacetamide
CID 43819769
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
N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-2-methylbutanamide
CID 43819725
2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)acetamide
CID 43819456
(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
2-(3,4-dimethoxyphenyl)-N-[4-(dimethylamino)phenyl]-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]acetamide
CID 43819577
2-[(4-chlorophenyl)methyl-[2-(2,3-dioxoindol-1-yl)acetyl]amino]-N-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 43819501
N-benzyl-N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2-(2,3-dioxoindol-1-yl)acetamide
CID 2717851
2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-fluorophenyl)methyl]amino]-2-(3-fluorophenyl)-N-(4-methoxyphenyl)acetamide
CID 43819548

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-2-(1H-indol-3-yl)acetamide (CID 43819740) is N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-2-(1H-indol-3-yl)acetamide is COc1ccc(NC(=O)C(c2c[nH]c3ccccc23)N(Cc2ccc(C)cc2)C(=O)CN2C(=O)C(=O)c3ccccc32)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-2-(1H-indol-3-yl)acetamide?
The InChIKey is GSPCXNPRSFGXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N4O6/c1-22-12-14-23(15-13-22)20-40(32(41)21-39-30-11-7-5-9-26(30)34(42)36(39)44)33(27-19-37-28-10-6-4-8-25(27)28)35(43)38-29-17-16-24(45-2)18-31(29)46-3/h4-19,33,37H,20-21H2,1-3H3,(H,38,43).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-2-(1H-indol-3-yl)acetamide?
N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-2-(1H-indol-3-yl)acetamide has a molecular weight of 616.67 g/mol, XLogP of 5.43, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 43819740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).